4-cyclohexyl-2,3-difluorophenol

C12H14F2O — CID 134218235

IUPAC4-cyclohexyl-2,3-difluorophenol
SMILESOc1ccc(C2CCCCC2)c(F)c1F
InChIInChI=1S/C12H14F2O/c13-11-9(6-7-10(15)12(11)14)8-4-2-1-3-5-8/h6-8,15H,1-5H2
InChIKeyPACJDWIZZDIQKO-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.72
Rot. Bonds1

About 4-cyclohexyl-2,3-difluorophenol

4-cyclohexyl-2,3-difluorophenol (PubChem CID 134218235) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-cyclohexyl-2,3-difluorophenol.

Molecular Properties

Compound Name4-cyclohexyl-2,3-difluorophenol
PubChem CID134218235
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-cyclohexyl-2,3-difluorophenol
SMILESOc1ccc(C2CCCCC2)c(F)c1F
InChIInChI=1S/C12H14F2O/c13-11-9(6-7-10(15)12(11)14)8-4-2-1-3-5-8/h6-8,15H,1-5H2
InChIKeyPACJDWIZZDIQKO-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
1-cyclohexyl-4-[4-(2,3-difluoro-4-iodophenyl)cyclohexyl]-2,3-difluorobenzene
CID 90437136
2,3-difluoro-4-[4-(2-hydroxypropyl)cyclohexyl]phenol
CID 176902887
1-cyclohexyl-4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 123193777
2-cyclododecylphenol
CID 22381643
4-cyclohexyl-5-fluorobenzene-1,2-diol
CID 90391034
2-cyclohexyl-5-(4-cyclopentyl-3-hydroxyphenyl)phenol
CID 142370768
(3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid
CID 171781999
1-cyclopentyl-4-cyclopropyloxy-2,3-difluorobenzene
CID 153282573
3-cyclohexyl-2-fluorobenzamide
CID 142776335
2,3-ditert-butyl-4-cyclohexylphenol
CID 175031880
1-cyclobutyloxy-4-cyclopentyl-2,3-difluorobenzene
CID 153282478

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2,3-difluorophenol?
The IUPAC name of 4-cyclohexyl-2,3-difluorophenol (CID 134218235) is 4-cyclohexyl-2,3-difluorophenol.
What is the SMILES notation for 4-cyclohexyl-2,3-difluorophenol?
The canonical SMILES for 4-cyclohexyl-2,3-difluorophenol is Oc1ccc(C2CCCCC2)c(F)c1F.
What is the InChIKey of 4-cyclohexyl-2,3-difluorophenol?
The InChIKey is PACJDWIZZDIQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c13-11-9(6-7-10(15)12(11)14)8-4-2-1-3-5-8/h6-8,15H,1-5H2.
What are the key properties of 4-cyclohexyl-2,3-difluorophenol?
4-cyclohexyl-2,3-difluorophenol has a molecular weight of 212.24 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,3-difluorophenol is sourced from PubChem (CID 134218235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).