Methyl[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furyl]acetate
Basic information
- Standard SMILES
COC(=O)Cc1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F- InChIKey
GTUAAIXVEAAHMI-UHFFFAOYSA-N- Molecular formula
- C14H10ClF3O3
- Average molar mass
- 318.67 g/mol
- Monoisotopic mass
- 318.0270564
Names & identifiers
- Preferred name
- Methyl[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furyl]acetate
- IUPAC
- methyl 2-[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]acetate
Names & synonyms
SCHEMBL27584938GTUAAIXVEAAHMI-UHFFFAOYSA-Nmethyl[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furyl]acetate
Database identifiers
- PubChem CID
- 21986299
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
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Related reactions
1 records
Compound notes
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