4-(2,2-difluorocyclohexyl)phenol

C12H14F2O — CID 83855789

IUPAC4-(2,2-difluorocyclohexyl)phenol
SMILESOc1ccc(C2CCCCC2(F)F)cc1
InChIInChI=1S/C12H14F2O/c13-12(14)8-2-1-3-11(12)9-4-6-10(15)7-5-9/h4-7,11,15H,1-3,8H2
InChIKeyVHCNLIRRAIKGSL-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.69
Rot. Bonds1

About 4-(2,2-difluorocyclohexyl)phenol

4-(2,2-difluorocyclohexyl)phenol (PubChem CID 83855789) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 4-(2,2-difluorocyclohexyl)phenol.

Molecular Properties

Compound Name4-(2,2-difluorocyclohexyl)phenol
PubChem CID83855789
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name4-(2,2-difluorocyclohexyl)phenol
SMILESOc1ccc(C2CCCCC2(F)F)cc1
InChIInChI=1S/C12H14F2O/c13-12(14)8-2-1-3-11(12)9-4-6-10(15)7-5-9/h4-7,11,15H,1-3,8H2
InChIKeyVHCNLIRRAIKGSL-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluorocyclohexyl)phenol?
The IUPAC name of 4-(2,2-difluorocyclohexyl)phenol (CID 83855789) is 4-(2,2-difluorocyclohexyl)phenol.
What is the SMILES notation for 4-(2,2-difluorocyclohexyl)phenol?
The canonical SMILES for 4-(2,2-difluorocyclohexyl)phenol is Oc1ccc(C2CCCCC2(F)F)cc1.
What is the InChIKey of 4-(2,2-difluorocyclohexyl)phenol?
The InChIKey is VHCNLIRRAIKGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c13-12(14)8-2-1-3-11(12)9-4-6-10(15)7-5-9/h4-7,11,15H,1-3,8H2.
What are the key properties of 4-(2,2-difluorocyclohexyl)phenol?
4-(2,2-difluorocyclohexyl)phenol has a molecular weight of 212.24 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluorocyclohexyl)phenol is sourced from PubChem (CID 83855789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).