(2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane

C11H14F6O — CID 19810491

IUPAC(2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane
SMILESFC1(F)CC(OC2CCCCC2)C(F)(F)C1(F)F
InChIInChI=1S/C11H14F6O/c12-9(13)6-8(10(14,15)11(9,16)17)18-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyVEWZXVQMZBPDML-UHFFFAOYSA-N
MW276.22 g/mol
LogP4.01
Rot. Bonds2

About (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane

(2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane (PubChem CID 19810491) has the molecular formula C11H14F6O and a molecular weight of 276.22 g/mol. Its IUPAC name is (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane.

Molecular Properties

Compound Name(2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane
PubChem CID19810491
Molecular FormulaC11H14F6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name(2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane
SMILESFC1(F)CC(OC2CCCCC2)C(F)(F)C1(F)F
InChIInChI=1S/C11H14F6O/c12-9(13)6-8(10(14,15)11(9,16)17)18-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyVEWZXVQMZBPDML-UHFFFAOYSA-N
XLogP4.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane?
The IUPAC name of (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane (CID 19810491) is (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane.
What is the SMILES notation for (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane?
The canonical SMILES for (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane is FC1(F)CC(OC2CCCCC2)C(F)(F)C1(F)F.
What is the InChIKey of (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane?
The InChIKey is VEWZXVQMZBPDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O/c12-9(13)6-8(10(14,15)11(9,16)17)18-7-4-2-1-3-5-7/h7-8H,1-6H2.
What are the key properties of (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane?
(2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane has a molecular weight of 276.22 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,4,4-hexafluorocyclopentyl)oxycyclohexane is sourced from PubChem (CID 19810491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).