Basic information
- Standard SMILES
CCOC(=O)/C=C(\NC(=O)N(C)C)C(F)(F)F- InChIKey
LBRSMSMOPWFBCQ-WAYWQWQTSA-N- Molecular formula
- C9H13F3N2O3
- Average molar mass
- 254.21 g/mol
Names & identifiers
- Preferred name
- Ethyl (Z)-3-(dimethylcarbamoylamino)-4,4,4-trifluoro-but-2-enoate
- IUPAC
- ethyl (Z)-3-(dimethylcarbamoylamino)-4,4,4-trifluorobut-2-enoate
Names & synonyms
Ethyl (Z)-3-(dimethylcarbamoylamino)-4,4,4-trifluoro-but-2-enoate289044-75-3Ethyl 3-[(N,N-dimethylcarbamoyl)amino]-4,4,4-trifluorocrotonateSCHEMBL7460850Ethyl 3-[(N,N-dimethylcarbamoyl) amino]-4,4,4-trifluorocrotonateethyl 3-[N-(N,N-dimethylcarbamoyl)-amino]-4,4,4-trifluorocrotonate
Database identifiers
- PubChem CID
- 11334267
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
3 records
Linked notes
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