3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid

HCID 58509552

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(F)cc1C(C)(C)CC(=O)O
InChIKey: DCCLHALCAVPUCC-UHFFFAOYSA-N
Molecular formula: C12H15FO2
Average molar mass: 210.24 g/mol

Names & identifiers

Preferred name: 3-(5-Fluoro-2-methylphenyl)-3-methylbutanoic acid
IUPAC: 3-(5-fluoro-2-methylphenyl)-3-methylbutanoic acid

Names & synonyms

3-(5-fluoro-2-methylphenyl)-3-methylbutanoic acid849353-56-63-(5-fluoro-2-methylphenyl)-3-methylbutyric acidSCHEMBL379397DCCLHALCAVPUCC-UHFFFAOYSA-NAKOS017975488DB-076173EN300-18709323-(5-fluoro-2-methylphenyl)-3-methylbutanoicacid

Database identifiers

PubChem CID: 58509552

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 238

Related reactions

2 records

New reaction record

HRID 400619As productuspto-grants-2014_06

HRID 400620As reactantuspto-grants-2014_06

Compound notes

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