3-(2,6-difluorophenyl)cyclohexan-1-ol

C12H14F2O — CID 64514606

IUPAC3-(2,6-difluorophenyl)cyclohexan-1-ol
SMILESOC1CCCC(c2c(F)cccc2F)C1
InChIInChI=1S/C12H14F2O/c13-10-5-2-6-11(14)12(10)8-3-1-4-9(15)7-8/h2,5-6,8-9,15H,1,3-4,7H2
InChIKeyZPJQWLLZKPPQSQ-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.98
Rot. Bonds1

About 3-(2,6-difluorophenyl)cyclohexan-1-ol

3-(2,6-difluorophenyl)cyclohexan-1-ol (PubChem CID 64514606) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)cyclohexan-1-ol
PubChem CID64514606
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-(2,6-difluorophenyl)cyclohexan-1-ol
SMILESOC1CCCC(c2c(F)cccc2F)C1
InChIInChI=1S/C12H14F2O/c13-10-5-2-6-11(14)12(10)8-3-1-4-9(15)7-8/h2,5-6,8-9,15H,1,3-4,7H2
InChIKeyZPJQWLLZKPPQSQ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-difluoro-3-methylphenyl)cyclohexan-1-ol
CID 82822255
1-chloro-3-(2,6-difluorophenyl)cycloheptane
CID 64508867
2-cyclopentyl-3-fluorophenol
CID 117104118
4-[3-(2,6-difluorophenyl)cyclohexyl]morpholine
CID 175591824
3-(2,6-difluoro-3-methylphenyl)cyclopentan-1-ol
CID 82822176
trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
2-cyclobutyl-3-fluorobenzamide
CID 89477243
3-(2-methylphenyl)cyclohexan-1-ol
CID 64513685
2,6-difluoro-N-[(1S,3S)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984042
2,6-difluoro-N-[(1R,3R)-3-hydroxycyclohexyl]benzenesulfonamide
CID 95984043
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764
5-tert-butyl-2-[(1S,3S)-3-hydroxycyclohexyl]phenol
CID 23757260

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)cyclohexan-1-ol?
The IUPAC name of 3-(2,6-difluorophenyl)cyclohexan-1-ol (CID 64514606) is 3-(2,6-difluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(2,6-difluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 3-(2,6-difluorophenyl)cyclohexan-1-ol is OC1CCCC(c2c(F)cccc2F)C1.
What is the InChIKey of 3-(2,6-difluorophenyl)cyclohexan-1-ol?
The InChIKey is ZPJQWLLZKPPQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c13-10-5-2-6-11(14)12(10)8-3-1-4-9(15)7-8/h2,5-6,8-9,15H,1,3-4,7H2.
What are the key properties of 3-(2,6-difluorophenyl)cyclohexan-1-ol?
3-(2,6-difluorophenyl)cyclohexan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 64514606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).