Basic information
- Standard SMILES
CCOC(=O)C(C)=C(N)C(F)(F)F- InChIKey
ORIQIOLYTKHVIG-UHFFFAOYSA-N- Molecular formula
- C7H10F3NO2
- Average molar mass
- 197.15 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4,4,4-trifluoro-2-methyl-but-2-enoic acid ethyl ester
- IUPAC
- ethyl 3-amino-4,4,4-trifluoro-2-methylbut-2-enoate
Names & synonyms
3-amino-4,4,4-trifluoro-2-methyl-but-2-enoic acid ethyl esterSCHEMBL3158398
Database identifiers
- PubChem CID
- 85448157
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Related reactions
3 records
Compound notes
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