Completing data — usually done within a minute
Basic information
- CAS
1421438-83-6- Standard SMILES
C[C@H](NC(=O)CCC(F)(F)F)C(=O)OCc1ccccc1- InChIKey
WDSMOGXOXLLACF-JTQLQIEISA-N- Molecular formula
- C14H16F3NO3
- Average molar mass
- 303.28 g/mol
- Monoisotopic mass
- 303.10822786
Names & identifiers
- Preferred name
- benzyl (2S)-2-(4,4,4-trifluorobutanoylamino)propanoate
- IUPAC
- benzyl (2S)-2-(4,4,4-trifluorobutanoylamino)propanoate
Names & synonyms
benzyl (2S)-2-(4,4,4-trifluorobutanoylamino)propanoateSCHEMBL14671625DTXSID501177916Benzyl N-(4,4,4-trifluorobutanoyl)-L-alaninateL-Alanine, N-(4,4,4-trifluoro-1-oxobutyl)-, phenylmethyl ester1421438-83-6
Database identifiers
- CAS
1421438-83-6- PubChem CID
- 71244635
- DTXSID
DTXSID501177916
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Related reactions
2 records
Compound notes
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