1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol

C14H18F2O — CID 64736348

IUPAC1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2O/c1-9-6-10(2)8-14(17,7-9)11-4-3-5-12(15)13(11)16/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyCIDHEWQGJWKQNC-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.61
Rot. Bonds1

About 1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol

1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol (PubChem CID 64736348) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol
PubChem CID64736348
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(c2cccc(F)c2F)C1
InChIInChI=1S/C14H18F2O/c1-9-6-10(2)8-14(17,7-9)11-4-3-5-12(15)13(11)16/h3-5,9-10,17H,6-8H2,1-2H3
InChIKeyCIDHEWQGJWKQNC-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol (CID 64736348) is 1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(c2cccc(F)c2F)C1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol?
The InChIKey is CIDHEWQGJWKQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-9-6-10(2)8-14(17,7-9)11-4-3-5-12(15)13(11)16/h3-5,9-10,17H,6-8H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol?
1-(2,3-difluorophenyl)-3,5-dimethylcyclohexan-1-ol has a molecular weight of 240.29 g/mol, XLogP of 3.61, 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)-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64736348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).