Basic information
- CAS
2728-61-2- Standard SMILES
O=C(O)C(Cc1ccccc1)NC(=O)C(F)(F)F- InChIKey
WVHMOENDFIKQBZ-UHFFFAOYSA-N- Molecular formula
- C11H10F3NO3
- Average molar mass
- 261.2 g/mol
- Monoisotopic mass
- 261.06127784
Names & identifiers
- Preferred name
- L-Phenylalanine, N-(trifluoroacetyl)-
- IUPAC
- 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
- English name
- Phenylalanine,N-(2,2,2-trifluoroacetyl)-
- Molecular formula
- C11H10F3NO3
- Molecular weight
- 261.2
Names & synonyms
L-Phenylalanine, N-(trifluoroacetyl)-2728-61-23-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid3-phenyl-2-(trifluoroacetamido)propanoic acid(R)-N-(trifluoroacetyl)phenylalanine(S)-N-(trifluoroacetyl)phenylalanine(R)-3-Phenyl-2-(2,2,2-trifluoroacetamido)propanoic acidSCHEMBL5180357Trifluoracetyl-D,L-phenylalaninN-(trifluoroacetyl)phenylalanineCHEMBL3252145DTXSID30275946
Show more names
Phenylalanine,N-(2,2,2-trifluoroacetyl)-
WVHMOENDFIKQBZ-UHFFFAOYSA-N3-PHENYL-2-(2,2,2-TRIFLUOROACETAMIDO)PROPANOIC ACIDNSC192720NSC522635AKOS009370039NSC 192720NSC-192720NSC-522635
Database identifiers
- CAS
2728-61-2、350-09-4- PubChem CID
- 99728
- DTXSID
DTXSID30275946- ChEMBL
CHEMBL3252145- Nikkaji
- J2.482.605H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 127 · 127-128 °C
- Boiling point
- 396.7 · 396.7±42.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- pka
- 2.9 · 2.90±0.10(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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