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

C9F16 — CID 12563819

IUPAC1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9F16/c10-2-1(3(11,8(20,21)22)9(23,24)25)4(12,13)6(16,17)7(18,19)5(2,14)15
InChIKeyQQHICBRRDDGPEA-UHFFFAOYSA-N
MW412.07 g/mol
LogP5.60
Rot. Bonds1

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

1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene (PubChem CID 12563819) has the molecular formula C9F16 and a molecular weight of 412.07 g/mol. Its IUPAC name is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene
PubChem CID12563819
Molecular FormulaC9F16
Molecular Weight412.07 g/mol
Exact Mass411.97
IUPAC Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9F16/c10-2-1(3(11,8(20,21)22)9(23,24)25)4(12,13)6(16,17)7(18,19)5(2,14)15
InChIKeyQQHICBRRDDGPEA-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.07
LogP ≤ 55.60
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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene?
The IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene (CID 12563819) is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene is FC1=C(C(F)(C(F)(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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene?
The InChIKey is QQHICBRRDDGPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F16/c10-2-1(3(11,8(20,21)22)9(23,24)25)4(12,13)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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene?
1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene has a molecular weight of 412.07 g/mol, XLogP of 5.60, 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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexene is sourced from PubChem (CID 12563819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).