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115611-57-9,MFCD16620487
Catalog No.:AA000G6N

115611-57-9 | 1,1,2,2-Tetrafluoroethyl benzyl ether

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$43.00   $30.00
- +
5g
95%
in stock  
$91.00   $64.00
- +
25g
95%
in stock  
$194.00   $136.00
- +
100g
95%
in stock  
$480.00   $336.00
- +
500g
95
in stock  
$1,685.00   $1,179.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000G6N
Chemical Name:
1,1,2,2-Tetrafluoroethyl benzyl ether
CAS Number:
115611-57-9
Molecular Formula:
C9H8F4O
Molecular Weight:
208.1528
MDL Number:
MFCD16620487
SMILES:
FC(C(OCc1ccccc1)(F)F)F
Properties
Computed Properties
 
Complexity:
166  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Downstream Synthesis Route

[1]Nguyen,Thoai[JournalofFluorineChemistry,1988,vol.38,p.95-106]

115611-57-9    2925-22-6   
benzyl2,2-difluoroacetate 

[1]Nguyen,Thoai[JournalofFluorineChemistry,1988,vol.38,p.95-106]

[1]Nguyen,Thoai[JournalofFluorineChemistry,1988,vol.38,p.95-106]

Literature

Title: Docking and molecular dynamics study on the inhibitory activity of N, N-disubstituted-trifluoro-3-amino-2-propanols-based inhibitors of cholesteryl ester transfer protein.

Journal: Journal of molecular modeling 20110701

Quotation Request
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SDS
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Tags:115611-57-9 Molecular Formula|115611-57-9 MDL|115611-57-9 SMILES|115611-57-9 1,1,2,2-Tetrafluoroethyl benzyl ether
Catalog No.: AA000G6N
115611-57-9,MFCD16620487
115611-57-9 | 1,1,2,2-Tetrafluoroethyl benzyl ether
Pack Size： 1g
Purity： 95%
in stock
$43.00 $30.00
Pack Size： 5g
Purity： 95%
in stock
$91.00 $64.00
Pack Size： 25g
Purity： 95%
in stock
$194.00 $136.00
Pack Size： 100g
Purity： 95%
in stock
$480.00 $336.00
Pack Size： 500g
Purity： 95
in stock
$1,685.00 $1,179.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA000G6N
Chemical Name: 1,1,2,2-Tetrafluoroethyl benzyl ether
CAS Number: 115611-57-9
Molecular Formula: C9H8F4O
Molecular Weight: 208.1528
MDL Number: MFCD16620487
SMILES: FC(C(OCc1ccccc1)(F)F)F
Properties
Complexity: 166  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Downstream Synthesis Route
115611-57-9    381-72-6    2925-22-6 

[1]Nguyen,Thoai[JournalofFluorineChemistry,1988,vol.38,p.95-106]

115611-57-9    2925-22-6   
benzyl2,2-difluoroacetate 

[1]Nguyen,Thoai[JournalofFluorineChemistry,1988,vol.38,p.95-106]

116-14-3    100-51-6    115611-57-9 

[1]Nguyen,Thoai[JournalofFluorineChemistry,1988,vol.38,p.95-106]

Literature fold

Title: Docking and molecular dynamics study on the inhibitory activity of N, N-disubstituted-trifluoro-3-amino-2-propanols-based inhibitors of cholesteryl ester transfer protein.

Journal: Journal of molecular modeling20110701

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