2-(3,5-Difluorophenyl)propan-2-ol

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Basic information

Standard SMILES: CC(C)(O)c1cc(F)cc(F)c1
InChIKey: FJQOZZAAYQEKMN-UHFFFAOYSA-N
Molecular formula: C9H10F2O
Average molar mass: 172.17 g/mol

Names & identifiers

Preferred name: 2-(3,5-Difluorophenyl)propan-2-ol
IUPAC: 2-(3,5-difluorophenyl)propan-2-ol

Names & synonyms

2-(3,5-difluorophenyl)propan-2-ol1063733-77-6MFCD172222712-(3,5-Difluorophenyl)-2-propanolSCHEMBL318939SCHEMBL15872940FJQOZZAAYQEKMN-UHFFFAOYSA-NAKOS0120814582-(3,5-Difluoro-phenyl)-propan-2-olEN300-1838629F395147

Database identifiers

PubChem CID: 57732159

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Related reactions

13 records

New reaction record

HRID 118630As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 124577As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 401787As productuspto-grants-2014_06

HRID 401788As reactantuspto-grants-2014_06

HRID 521897As reactantuspto-grants-2016_05

HRID 705186As productuspto-grants-2015_11

HRID 705187As reactantuspto-grants-2015_11

HRID 879098As productuspto-grants-2015_03

Compound notes

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