1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene

C8F14 — CID 10926524

IUPAC1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene
SMILESFC1=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-2-1(4(12,13)8(20,21)22)3(10,11)6(16,17)7(18,19)5(2,14)15
InChIKeyFOWHSSKFNBVODM-UHFFFAOYSA-N
MW362.06 g/mol
LogP4.96
Rot. Bonds1

About 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene

1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene (PubChem CID 10926524) has the molecular formula C8F14 and a molecular weight of 362.06 g/mol. Its IUPAC name is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene
PubChem CID10926524
Molecular FormulaC8F14
Molecular Weight362.06 g/mol
Exact Mass361.98
IUPAC Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene
SMILESFC1=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-2-1(4(12,13)8(20,21)22)3(10,11)6(16,17)7(18,19)5(2,14)15
InChIKeyFOWHSSKFNBVODM-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.06
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene 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 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene?
The IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene (CID 10926524) is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene is FC1=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene?
The InChIKey is FOWHSSKFNBVODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14/c9-2-1(4(12,13)8(20,21)22)3(10,11)6(16,17)7(18,19)5(2,14)15.
What are the key properties of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene?
1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene has a molecular weight of 362.06 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclohexene is sourced from PubChem (CID 10926524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).