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564-10-3 | 3,3,3-Trifluoro-2-(trifluoromethyl)propanoic acid
CAS No: 564-10-3 Catalog No: AG003IBQ MDL No:MFCD00464165
Product Description
Catalog Number:
AG003IBQ
Chemical Name:
3,3,3-Trifluoro-2-(trifluoromethyl)propanoic 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
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
Literature
| Title | Journal |
|---|---|
| Monocyclic β-lactams are selective, mechanism-based inhibitors of rhomboid intramembrane proteases. | ACS chemical biology 20110415 |
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