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939399-07-2,MFCD09998070
Catalog No.:AA00GVU2

939399-07-2 | 2-2-Dimethyl-4,4,4-trifluorobutanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$321.00   $225.00
- +
1g
98%
in stock  
$948.00   $664.00
- +
5g
98%
in stock  
$3,729.00 $2,610.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GVU2
Chemical Name:
2-2-Dimethyl-4,4,4-trifluorobutanoic acid
CAS Number:
939399-07-2
Molecular Formula:
C6H9F3O2
Molecular Weight:
170.1297
MDL Number:
MFCD09998070
SMILES:
OC(=O)C(CC(F)(F)F)(C)C
Properties
Computed Properties
 
Complexity:
160  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

Literature
Quotation Request
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SDS
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Tags:939399-07-2 Molecular Formula|939399-07-2 MDL|939399-07-2 SMILES|939399-07-2 2-2-Dimethyl-4,4,4-trifluorobutanoic acid
Catalog No.: AA00GVU2
939399-07-2,MFCD09998070
939399-07-2 | 2-2-Dimethyl-4,4,4-trifluorobutanoic acid
Pack Size： 250mg
Purity： 98%
in stock
$321.00 $225.00
Pack Size： 1g
Purity： 98%
in stock
$948.00 $664.00
Pack Size： 5g
Purity： 98%
in stock
$3,729.00 $2,610.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00GVU2
Chemical Name: 2-2-Dimethyl-4,4,4-trifluorobutanoic acid
CAS Number: 939399-07-2
Molecular Formula: C6H9F3O2
Molecular Weight: 170.1297
MDL Number: MFCD09998070
SMILES: OC(=O)C(CC(F)(F)F)(C)C
Properties
Complexity: 160  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
939399-07-2    1027273-99-9 

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

885275-92-3    939399-07-2 

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

939399-07-2    1027282-22-9 

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

939399-07-2    1026746-64-4 

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

939399-07-2    1027649-42-8 

[1]Jacobs,RobertT.;Bernstein,PeterR.;Cronk,LauraA.;Vacek,EdwardP.;Newcomb,LisaF.;etal.[JournalofMedicinalChemistry,1994,vol.37,#9,p.1282-1297]

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