5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane

C7H2F10 — CID 139691689

IUPAC5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane
SMILESFC(F)=C1CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H2F10/c8-3(9)2-1-4(10,11)6(14,15)7(16,17)5(2,12)13/h1H2
InChIKeyIYWIPGNZBBIJLC-UHFFFAOYSA-N
MW276.07 g/mol
LogP4.08
Rot. Bonds

About 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane

5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane (PubChem CID 139691689) has the molecular formula C7H2F10 and a molecular weight of 276.07 g/mol. Its IUPAC name is 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane.

Molecular Properties

Compound Name5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane
PubChem CID139691689
Molecular FormulaC7H2F10
Molecular Weight276.07 g/mol
Exact Mass276.00
IUPAC Name5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane
SMILESFC(F)=C1CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H2F10/c8-3(9)2-1-4(10,11)6(14,15)7(16,17)5(2,12)13/h1H2
InChIKeyIYWIPGNZBBIJLC-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane 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 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane?
The IUPAC name of 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane (CID 139691689) is 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane.
What is the SMILES notation for 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane?
The canonical SMILES for 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane is FC(F)=C1CC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane?
The InChIKey is IYWIPGNZBBIJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F10/c8-3(9)2-1-4(10,11)6(14,15)7(16,17)5(2,12)13/h1H2.
What are the key properties of 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane?
5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane has a molecular weight of 276.07 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylidene)-1,1,2,2,3,3,4,4-octafluorocyclohexane is sourced from PubChem (CID 139691689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).