4-Oxo-4-(4'-trifluoromethyl-biphenyl-4-yl)-butyric acid

HCID 23005240
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Basic information

Standard SMILES
O=C(O)CCC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIKey
RLHFOESWPVAVLW-UHFFFAOYSA-N
Molecular formula
C17H13F3O3
Average molar mass
322.28 g/mol

Names & identifiers

Preferred name
4-Oxo-4-(4'-trifluoromethyl-biphenyl-4-yl)-butyric acid
IUPAC
4-oxo-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanoic acid

Names & synonyms

4-oxo-4-(4'-trifluoromethyl-biphenyl-4-yl)-butyric acidSCHEMBL7857488AKOS004116203

Database identifiers

PubChem CID
23005240

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
23

Related reactions

6 records
New reaction record

Compound notes

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