1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol

C15H20F2O — CID 105402555

IUPAC1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H20F2O/c1-14(2)4-3-5-15(18,10-14)9-11-6-12(16)8-13(17)7-11/h6-8,18H,3-5,9-10H2,1-2H3
InChIKeyXWBGNYMFBBZKJW-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.84
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol

1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol (PubChem CID 105402555) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
PubChem CID105402555
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(Cc2cc(F)cc(F)c2)C1
InChIInChI=1S/C15H20F2O/c1-14(2)4-3-5-15(18,10-14)9-11-6-12(16)8-13(17)7-11/h6-8,18H,3-5,9-10H2,1-2H3
InChIKeyXWBGNYMFBBZKJW-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

3-[(3,5-difluorophenyl)methyl]-5,5-dimethylthian-3-ol
CID 105402645
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 105403031
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 65149503
1-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 79701214
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 102856900
1-[(5-fluoro-3-pyridinyl)methyl]cyclohexan-1-ol
CID 148927727
1-(aminomethyl)-3,3-dimethylcyclohexan-1-ol
CID 46835727
1-[(3,5-difluorophenyl)methyl]-4-(ethylamino)cyclohexan-1-ol
CID 105410690
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
1-[(4-iodophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699119
1-[(4-chlorophenyl)methyl]-3,3-dimethylcyclopentan-1-ol
CID 80699934
[1-[(3,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 105410611

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol (CID 105402555) is 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol is CC1(C)CCCC(O)(Cc2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The InChIKey is XWBGNYMFBBZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-14(2)4-3-5-15(18,10-14)9-11-6-12(16)8-13(17)7-11/h6-8,18H,3-5,9-10H2,1-2H3.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
1-[(3,5-difluorophenyl)methyl]-3,3-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-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 105402555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).