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

C13H16F2O — CID 114933070

IUPAC2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1Cc1c(F)cccc1F
InChIInChI=1S/C13H16F2O/c14-11-5-3-6-12(15)10(11)8-9-4-1-2-7-13(9)16/h3,5-6,9,13,16H,1-2,4,7-8H2
InChIKeyPWRLKNHSLFHKDF-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.06
Rot. Bonds2

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

2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 114933070) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol
PubChem CID114933070
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1Cc1c(F)cccc1F
InChIInChI=1S/C13H16F2O/c14-11-5-3-6-12(15)10(11)8-9-4-1-2-7-13(9)16/h3,5-6,9,13,16H,1-2,4,7-8H2
InChIKeyPWRLKNHSLFHKDF-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol (CID 114933070) is 2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol is OC1CCCCC1Cc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is PWRLKNHSLFHKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c14-11-5-3-6-12(15)10(11)8-9-4-1-2-7-13(9)16/h3,5-6,9,13,16H,1-2,4,7-8H2.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol?
2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 226.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 114933070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).