Basic information
- Standard SMILES
COC(=O)c1ccc(-c2ccccc2C(F)(F)F)c(C)c1- InChIKey
ZCMSGNNTJCCLRU-UHFFFAOYSA-N- Molecular formula
- C16H13F3O2
- Average molar mass
- 294.27 g/mol
- Monoisotopic mass
- 294.08676414
Names & identifiers
- Preferred name
- Methyl 2-methyl-2'-(trifluoromethyl)biphenyl-4-carboxylate
- IUPAC
- methyl 3-methyl-4-[2-(trifluoromethyl)phenyl]benzoate
Names & synonyms
methyl 2-methyl-2'-(trifluoromethyl)biphenyl-4-carboxylateMethyl 2-methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylate473264-00-5SCHEMBL2776641DB-3861442-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-carboxylic acid methyl ester(2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)-carboxylic acid methyl ester(2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59606539
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
16 records
Compound notes
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