Basic information
- Standard SMILES
CC(N)(CC(=O)O)C(F)(F)F- InChIKey
JXQZNGJGCYARFA-UHFFFAOYSA-N- Molecular formula
- C5H8F3NO2
- Average molar mass
- 171.12 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4,4,4-trifluoro-3-methylbutanoic acid
- IUPAC
- 3-amino-4,4,4-trifluoro-3-methylbutanoic acid
Names & synonyms
3-amino-4,4,4-trifluoro-3-methylbutanoic acid118281-16-6SCHEMBL97116353-amino-3-trifluoromethylbutyric acidAKOS026740827EN300-815543-amino-4,4,4-trifluoro-3-methylbutanoicacid
Database identifiers
- PubChem CID
- 18179360
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Related reactions
2 records
Compound notes
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