4-cyclooctyl-2,6-difluorophenol

C14H18F2O — CID 151133055

IUPAC4-cyclooctyl-2,6-difluorophenol
SMILESOc1c(F)cc(C2CCCCCCC2)cc1F
InChIInChI=1S/C14H18F2O/c15-12-8-11(9-13(16)14(12)17)10-6-4-2-1-3-5-7-10/h8-10,17H,1-7H2
InChIKeyMUQDCRQSPZURJZ-UHFFFAOYSA-N
MW240.29 g/mol
LogP4.50
Rot. Bonds1

About 4-cyclooctyl-2,6-difluorophenol

4-cyclooctyl-2,6-difluorophenol (PubChem CID 151133055) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-cyclooctyl-2,6-difluorophenol.

Molecular Properties

Compound Name4-cyclooctyl-2,6-difluorophenol
PubChem CID151133055
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name4-cyclooctyl-2,6-difluorophenol
SMILESOc1c(F)cc(C2CCCCCCC2)cc1F
InChIInChI=1S/C14H18F2O/c15-12-8-11(9-13(16)14(12)17)10-6-4-2-1-3-5-7-10/h8-10,17H,1-7H2
InChIKeyMUQDCRQSPZURJZ-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclooctyl-2,6-difluorophenol?
The IUPAC name of 4-cyclooctyl-2,6-difluorophenol (CID 151133055) is 4-cyclooctyl-2,6-difluorophenol.
What is the SMILES notation for 4-cyclooctyl-2,6-difluorophenol?
The canonical SMILES for 4-cyclooctyl-2,6-difluorophenol is Oc1c(F)cc(C2CCCCCCC2)cc1F.
What is the InChIKey of 4-cyclooctyl-2,6-difluorophenol?
The InChIKey is MUQDCRQSPZURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c15-12-8-11(9-13(16)14(12)17)10-6-4-2-1-3-5-7-10/h8-10,17H,1-7H2.
What are the key properties of 4-cyclooctyl-2,6-difluorophenol?
4-cyclooctyl-2,6-difluorophenol has a molecular weight of 240.29 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctyl-2,6-difluorophenol is sourced from PubChem (CID 151133055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).