[2-(3-Fluoro-4-trifluoromethyl-phenyl)-ethyl]-carbamic acid ethyl ester
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Basic information
- Standard SMILES
CCOC(=O)NCCc1ccc(C(F)(F)F)c(F)c1- InChIKey
YFHLTSZSZOZJNA-UHFFFAOYSA-N- Molecular formula
- C12H13F4NO2
- Average molar mass
- 279.23 g/mol
- Monoisotopic mass
- 279.08824131
Names & identifiers
- Preferred name
- [2-(3-Fluoro-4-trifluoromethyl-phenyl)-ethyl]-carbamic acid ethyl ester
- IUPAC
- ethyl N-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]carbamate
Names & synonyms
[2-(3-Fluoro-4-trifluoromethyl-phenyl)-ethyl]-carbamic acid ethyl esterSCHEMBL15467056
Database identifiers
- PubChem CID
- 89964249
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Related reactions
2 records
Compound notes
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