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

C12H14F2O — CID 64908800

IUPAC3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1c1cccc(F)c1F
InChIInChI=1S/C12H14F2O/c1-7-8(5-6-11(7)15)9-3-2-4-10(13)12(9)14/h2-4,7-8,11,15H,5-6H2,1H3
InChIKeyLBMNXQHBRSOZDN-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.84
Rot. Bonds1

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

3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol (PubChem CID 64908800) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol
PubChem CID64908800
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1c1cccc(F)c1F
InChIInChI=1S/C12H14F2O/c1-7-8(5-6-11(7)15)9-3-2-4-10(13)12(9)14/h2-4,7-8,11,15H,5-6H2,1H3
InChIKeyLBMNXQHBRSOZDN-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-difluorophenyl)-2-methylpyrrolidine
CID 63667430
3-(5-bromo-2-fluorophenyl)-2-methylcyclopentan-1-ol
CID 79740139
(5R,6S,9R)-5-chloro-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 58468013
[6-(2,3-difluorophenyl)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl] acetate
CID 67115827
[(5S,6S,9R)-6-(2,3-difluorophenyl)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl] acetate
CID 67115825
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
4-(2,3-difluorophenyl)-1-methylpiperidine
CID 57438792
tert-butyl (2S)-3-(2,3-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate
CID 90691469
4-fluoro-2,3-dimethyl-2,3-dihydro-1H-inden-1-ol
CID 79726794
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610
3-(2,3-difluorophenyl)-1-methylpyrrolidine
CID 67174874
4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 63821752

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol?
The IUPAC name of 3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol (CID 64908800) is 3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol is CC1C(O)CCC1c1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol?
The InChIKey is LBMNXQHBRSOZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-7-8(5-6-11(7)15)9-3-2-4-10(13)12(9)14/h2-4,7-8,11,15H,5-6H2,1H3.
What are the key properties of 3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol?
3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 64908800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).