1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol

C15H20F2O — CID 114931035

IUPAC1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C15H20F2O/c1-14(2)6-8-15(18,9-7-14)10-11-12(16)4-3-5-13(11)17/h3-5,18H,6-10H2,1-2H3
InChIKeyYJDAYBXPZGFHRR-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.84
Rot. Bonds2

About 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol

1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 114931035) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID114931035
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C15H20F2O/c1-14(2)6-8-15(18,9-7-14)10-11-12(16)4-3-5-13(11)17/h3-5,18H,6-10H2,1-2H3
InChIKeyYJDAYBXPZGFHRR-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol
CID 114930983
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 118398594
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
1-[(2,6-difluoro-3-methylsulfonylphenyl)methyl]cyclopropan-1-ol
CID 117409974
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
2-[(3-bromo-1-methylcyclopentyl)methyl]-1,3-difluorobenzene
CID 114934515
1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339844
1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
3-[(2,6-difluorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 114931082
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406990
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
1-[(2,6-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114931200

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol (CID 114931035) is 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(Cc2c(F)cccc2F)CC1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is YJDAYBXPZGFHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-14(2)6-8-15(18,9-7-14)10-11-12(16)4-3-5-13(11)17/h3-5,18H,6-10H2,1-2H3.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol?
1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 254.32 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114931035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).