1,1'-Biphenyl-4-carboxylic acid,4'-(trifluoromethyl)-,ethyl ester

HCID 54762425
NotesReactions
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Basic information

Standard SMILES
CCOC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIKey
SNUNHOYYQWPHJO-UHFFFAOYSA-N
Molecular formula
C16H13F3O2
Average molar mass
294.27 g/mol
Monoisotopic mass
294.08676414

Names & identifiers

Preferred name
1,1'-Biphenyl-4-carboxylic acid,4'-(trifluoromethyl)-,ethyl ester
IUPAC
ethyl 4-[4-(trifluoromethyl)phenyl]benzoate

Names & synonyms

1,1'-Biphenyl-4-carboxylic acid,4'-(trifluoromethyl)-,ethyl ester647842-34-0ethyl 4-[4-(trifluoromethyl)phenyl]benzoateSCHEMBL2294507Ethyl 4'-trifluoromethylbiphenyl-4-carboxylate[1,1'-Biphenyl]-4-carboxylic acid, 4'-(trifluoromethyl)-, ethyl ester

Database identifiers

PubChem CID
54762425
Nikkaji
J1.992.724E

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
21

Related reactions

11 records
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Compound notes

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