4-(2,5-difluorophenyl)cyclohexan-1-ol

C12H14F2O — CID 116963227

IUPAC4-(2,5-difluorophenyl)cyclohexan-1-ol
SMILESOC1CCC(c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H14F2O/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h3,6-8,10,15H,1-2,4-5H2
InChIKeyGLPJQENQXSXLRJ-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.98
Rot. Bonds1

About 4-(2,5-difluorophenyl)cyclohexan-1-ol

4-(2,5-difluorophenyl)cyclohexan-1-ol (PubChem CID 116963227) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)cyclohexan-1-ol
PubChem CID116963227
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-(2,5-difluorophenyl)cyclohexan-1-ol
SMILESOC1CCC(c2cc(F)ccc2F)CC1
InChIInChI=1S/C12H14F2O/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h3,6-8,10,15H,1-2,4-5H2
InChIKeyGLPJQENQXSXLRJ-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)cyclohexan-1-ol?
The IUPAC name of 4-(2,5-difluorophenyl)cyclohexan-1-ol (CID 116963227) is 4-(2,5-difluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2,5-difluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 4-(2,5-difluorophenyl)cyclohexan-1-ol is OC1CCC(c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)cyclohexan-1-ol?
The InChIKey is GLPJQENQXSXLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c13-9-3-6-12(14)11(7-9)8-1-4-10(15)5-2-8/h3,6-8,10,15H,1-2,4-5H2.
What are the key properties of 4-(2,5-difluorophenyl)cyclohexan-1-ol?
4-(2,5-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 4-(2,5-difluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 116963227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).