1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol

C12H14F2O — CID 64516207

IUPAC1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(c2cccc(F)c2F)C1
InChIInChI=1S/C12H14F2O/c1-8-5-6-12(15,7-8)9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyLUFYGROCSAICPG-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.97
Rot. Bonds1

About 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol

1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol (PubChem CID 64516207) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol
PubChem CID64516207
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol
SMILESCC1CCC(O)(c2cccc(F)c2F)C1
InChIInChI=1S/C12H14F2O/c1-8-5-6-12(15,7-8)9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyLUFYGROCSAICPG-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol
CID 64736348
1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol
CID 106644257
1-(2,6-difluoro-3-methylphenyl)-3-methylcyclopentan-1-ol
CID 82820086
1-(2,3-difluorophenyl)-2-methylcyclopropan-1-ol
CID 79332533
1-(2,3-difluorophenyl)-3-methylcyclohexan-1-amine
CID 63989623
1-(3-fluorophenyl)-3-methylcyclopentan-1-ol
CID 64516449
2-[(1R,3S)-1-hydroxy-3-methylcyclopentyl]benzonitrile
CID 125425746
3-(2,3-difluorophenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171958541
3-(2,3-difluorophenyl)-3-methylcyclopentan-1-amine
CID 116538869
3-(2,3-difluorophenyl)-1-ethylazetidin-3-ol
CID 46208104
cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol
CID 125425810
1-[(2,3-difluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400694

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol (CID 64516207) is 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol is CC1CCC(O)(c2cccc(F)c2F)C1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol?
The InChIKey is LUFYGROCSAICPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-8-5-6-12(15,7-8)9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol?
1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 64516207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).