Basic information
- CAS
271592-91-7- Standard SMILES
CC(C)C(NCC(F)(F)F)C(=O)O- InChIKey
YBRYPNRAJJRLFW-UHFFFAOYSA-N- Molecular formula
- C7H12F3NO2
- Average molar mass
- 199.17 g/mol
- Monoisotopic mass
- 199.08201311
Names & identifiers
- Preferred name
- N-(2,2,2-Trifluoroethyl)valine
- IUPAC
- 3-methyl-2-(2,2,2-trifluoroethylamino)butanoic acid
Names & synonyms
N-(2,2,2-Trifluoroethyl)valine3-methyl-2-[(2,2,2-trifluoroethyl)amino]butanoic acid271592-91-73-METHYL-2-(2,2,2-TRIFLUOROETHYLAMINO)BUTANOIC ACID(2,2,2-Trifluoroethyl)-DL-valineDTXSID70656078MFCD12176650AKOS009502605BS-12298EN300-88770Z425417754
Database identifiers
- CAS
271592-91-7- PubChem CID
- 43468280
- DTXSID
DTXSID70656078
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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