Trifluoroalanine
Basic information
- CAS
127127-25-7- Standard SMILES
N[C@H](C(=O)O)C(F)(F)F- InChIKey
HMJQKIDUCWWIBW-PVQJCKRUSA-N- Molecular formula
- C3H4F3NO2
- Average molar mass
- 143.06 g/mol
- Monoisotopic mass
- 143.01941303
Names & identifiers
- Preferred name
- Trifluoroalanine
- IUPAC
- (2R)-2-amino-3,3,3-trifluoropropanoic acid
- English name
- (R)-2-amino-3,3,3-trifluoropropanoic acid
- Molecular formula
- C3H4F3NO2
- Molecular weight
- 143.06
Names & synonyms
127127-25-73,3,3-trifluoro-l-alanineTRIFLUOROALANINENT6AV26MM7UNII-NT6AV26MM7(2S)-2-amino-3,3,3-trifluoropropanoic acidRefChem:191589241-478-2(R)-2-Amino-3,3,3-trifluoropropanoic acid(2R)-2-amino-3,3,3-trifluoropropanoic acid10065-69-7L-Alanine, 3,3,3-trifluoro-
Show more names
3,3,3,-Trifluoro-D-alanineMFCD07779864SCHEMBL166753EINECS 241-478-2AKOS006238841SY344717(R)-2-Amino-3,3,3-trifluoropropanoicacidCS-0343258
Database identifiers
- CAS
127127-25-7、17463-43-3- PubChem CID
- 87122
- DTXSID
DTXSID40938535- UNII
- NT6AV26MM7
- Nikkaji
- J285.370A
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Boiling point
- 227.9 · 227.9±40.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- pka
- 0.81 · 0.81±0.10(Predicted)
- FDA UNII
- 6 AV26MM7 · NT6AV26MM7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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