Home Fluorides 99783-23-0
99783-23-0,MFCD00190640
Catalog No.:AA003HKA

99783-23-0 | 2-Methyl-4,4,4-trifluorobutyric acid

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1g
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5g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HKA
Chemical Name:
2-Methyl-4,4,4-trifluorobutyric acid
CAS Number:
99783-23-0
Molecular Formula:
C5H7F3O2
Molecular Weight:
156.1031
MDL Number:
MFCD00190640
SMILES:
CC(C(=O)O)CC(F)(F)F
Properties
Computed Properties
 
Complexity:
129  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.8  

Downstream Synthesis Route

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

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US5286740,1994,A

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

[1]Leblanc,Yves;Roy,Patrick;Wang,Zhaoyin;Li,ChunSing;Chauret,Nathalie;Nicoll-Griffith,DeborahA;Silva,JoseM;Aubin,Yves;Yergey,JamesA;Chan,ChiChung;Riendeau,Denis;Brideau,Christine;Gordon,Robert;Xu,Lijing;Webb,Janine;Visco,DeniseM;Prasit,Petpiboon[Bioorganicandmedicinalchemistryletters,2002,vol.12,#22,p.3317-3320]

[2]Zhu,Ru-Yi;He,Jian;Wang,Xiao-Chen;Yu,Jin-Quan[JournaloftheAmericanChemicalSociety,2014,vol.136,#38,p.13194-13197]

[1]Leblanc,Yves;Roy,Patrick;Wang,Zhaoyin;Li,ChunSing;Chauret,Nathalie;Nicoll-Griffith,DeborahA;Silva,JoseM;Aubin,Yves;Yergey,JamesA;Chan,ChiChung;Riendeau,Denis;Brideau,Christine;Gordon,Robert;Xu,Lijing;Webb,Janine;Visco,DeniseM;Prasit,Petpiboon[Bioorganicandmedicinalchemistryletters,2002,vol.12,#22,p.3317-3320]

[1]Leblanc,Yves;Roy,Patrick;Wang,Zhaoyin;Li,ChunSing;Chauret,Nathalie;Nicoll-Griffith,DeborahA;Silva,JoseM;Aubin,Yves;Yergey,JamesA;Chan,ChiChung;Riendeau,Denis;Brideau,Christine;Gordon,Robert;Xu,Lijing;Webb,Janine;Visco,DeniseM;Prasit,Petpiboon[Bioorganicandmedicinalchemistryletters,2002,vol.12,#22,p.3317-3320]

Literature
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SDS
Tags:99783-23-0 Molecular Formula|99783-23-0 MDL|99783-23-0 SMILES|99783-23-0 2-Methyl-4,4,4-trifluorobutyric acid