Home Fluorides 564-10-3
564-10-3,MFCD00464165
Catalog No.:AA003I8Y
564-10-3 | 3,3,3-Trifluoro-2-(trifluoromethyl)propionic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$50.00   $35.00
- +
5g
95%
in stock  
$136.00   $95.00
- +
25g
95%
in stock  
$540.00   $378.00
- +
100g
95%
in stock  
$1,556.00   $1,089.00
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003I8Y
Chemical Name:
3,3,3-Trifluoro-2-(trifluoromethyl)propionic acid
CAS Number:
564-10-3
Molecular Formula:
C4H2F6O2
Molecular Weight:
196.0479
MDL Number:
MFCD00464165
IUPAC Name:
3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
InChI:
InChI=1S/C4H2F6O2/c5-3(6,7)1(2(11)12)4(8,9)10/h1H,(H,11,12)
InChI Key:
RAEAYTICAPHWJW-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(F)(F)F)C(F)(F)F
Properties
Computed Properties
 
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.996g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.048g/mol
Monoisotopic Mass:
195.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid 
564-10-3 
(CF3)2CHCO2H 
SCHEMBL568947 
AC1Q4I95 
CTK5A5097 
DTXSID10327679 
RAEAYTICAPHWJW-UHFFFAOYSA-N 
ZINC1646058 
5703AE 
BBL104349 
STK400291 
2-(Trifluoromethyl)-3,3,3-trifluoropropionic acid 
AKOS000309867 
GS-6120 
MCULE-8196053736 
NE11525 
VZ25371 
DB-021792 
TR-019807 
FT-0613976 
ST50679993 
KS-00001987 
3,3,3-Trifluoro-2-(trifluoromethyl)propionic acid 
3,3,3-trifluoro-2-trifluoromethylpropionic acid 
3,3,3-trifluoro-2-trifluoromethyl-propionic acid 
A831037 
3S104960 
3S210919 
I04-5152 
3,3,3-tris(fluoranyl)-2-(trifluoromethyl)propanoic acid 
Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)- 
C4H2F6O2 
AR-1E8303 
MFCD00464165 
CID385606 
3,3,3-TRIFLUORO-2- PROPIONICACID 
56816-80-9 
Propanoic acid,3,3,3-trifluoro-2-(trifluoromethyl)- 
3,3,3-Trifluoro-2-(trifluoromethyl)propionic acid, 97% 
hexafluoroisobutyric acid 
ACMC-1AMSZ 
AC1L8PX7 
Literature

Title: Monocyclic β-lactams are selective, mechanism-based inhibitors of rhomboid intramembrane proteases.

Journal: ACS chemical biology 20110415

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