1,3,3,4,4,5,5,6,6-nonafluorocyclohexene

C6HF9 — CID 534168

IUPAC1,3,3,4,4,5,5,6,6-nonafluorocyclohexene
SMILESFC1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF9/c7-2-1-3(8,9)5(12,13)6(14,15)4(2,10)11/h1H
InChIKeyMLVFVGWXXSLCMI-UHFFFAOYSA-N
MW244.06 g/mol
LogP3.39
Rot. Bonds

About 1,3,3,4,4,5,5,6,6-nonafluorocyclohexene

1,3,3,4,4,5,5,6,6-nonafluorocyclohexene (PubChem CID 534168) has the molecular formula C6HF9 and a molecular weight of 244.06 g/mol. Its IUPAC name is 1,3,3,4,4,5,5,6,6-nonafluorocyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,5,6,6-nonafluorocyclohexene
PubChem CID534168
Molecular FormulaC6HF9
Molecular Weight244.06 g/mol
Exact Mass243.99
IUPAC Name1,3,3,4,4,5,5,6,6-nonafluorocyclohexene
SMILESFC1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6HF9/c7-2-1-3(8,9)5(12,13)6(14,15)4(2,10)11/h1H
InChIKeyMLVFVGWXXSLCMI-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluorocyclohexene?
The IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluorocyclohexene (CID 534168) is 1,3,3,4,4,5,5,6,6-nonafluorocyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,5,6,6-nonafluorocyclohexene?
The canonical SMILES for 1,3,3,4,4,5,5,6,6-nonafluorocyclohexene is FC1=CC(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-nonafluorocyclohexene?
The InChIKey is MLVFVGWXXSLCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9/c7-2-1-3(8,9)5(12,13)6(14,15)4(2,10)11/h1H.
What are the key properties of 1,3,3,4,4,5,5,6,6-nonafluorocyclohexene?
1,3,3,4,4,5,5,6,6-nonafluorocyclohexene has a molecular weight of 244.06 g/mol, XLogP of 3.39, 0 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-nonafluorocyclohexene is sourced from PubChem (CID 534168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).