2-[2-(4-Fluorophenyl)ethyl]-5-fluorobenzoic Acid

HCID 22015778

Notes Reactions

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Basic information

Standard SMILES: O=C(O)c1cc(F)ccc1CCc1ccc(F)cc1
InChIKey: LYVAEEHVLWULGP-UHFFFAOYSA-N
Molecular formula: C15H12F2O2
Average molar mass: 262.25 g/mol

Names & identifiers

Preferred name: 2-[2-(4-Fluorophenyl)ethyl]-5-fluorobenzoic Acid
IUPAC: 5-fluoro-2-[2-(4-fluorophenyl)ethyl]benzoic acid

Names & synonyms

SCHEMBL5516464LYVAEEHVLWULGP-UHFFFAOYSA-N2-[2-(4-Fluorophenyl)ethyl]-5-fluorobenzoic Acid

Database identifiers

PubChem CID: 22015778

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 301

Related reactions

10 records

New reaction record

HRID 8397As productuspto-grants-2006_08

HRID 8398As reactantuspto-grants-2006_08

HRID 192383As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 322565As productuspto-grants-2001_04

HRID 322566As reactantuspto-grants-2001_04

HRID 353290As productuspto-grants-2004_06

HRID 353291As reactantuspto-grants-2004_06

HRID 916233As productuspto-grants-2007_09

Compound notes

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