3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane

C11H11F7 — CID 139264111

IUPAC3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C=C=C1CCCCC1
InChIInChI=1S/C11H11F7/c12-9(13,10(14,15)11(16,17)18)7-6-8-4-2-1-3-5-8/h7H,1-5H2
InChIKeyZZVBVKCSVMBEKH-UHFFFAOYSA-N
MW276.19 g/mol
LogP4.86
Rot. Bonds2

About 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane

3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane (PubChem CID 139264111) has the molecular formula C11H11F7 and a molecular weight of 276.19 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane
PubChem CID139264111
Molecular FormulaC11H11F7
Molecular Weight276.19 g/mol
Exact Mass276.07
IUPAC Name3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C=C=C1CCCCC1
InChIInChI=1S/C11H11F7/c12-9(13,10(14,15)11(16,17)18)7-6-8-4-2-1-3-5-8/h7H,1-5H2
InChIKeyZZVBVKCSVMBEKH-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 54.86
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 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane (CID 139264111) is 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane is FC(F)(F)C(F)(F)C(F)(F)C=C=C1CCCCC1.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane?
The InChIKey is ZZVBVKCSVMBEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F7/c12-9(13,10(14,15)11(16,17)18)7-6-8-4-2-1-3-5-8/h7H,1-5H2.
What are the key properties of 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane?
3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane has a molecular weight of 276.19 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoropent-1-enylidenecyclohexane is sourced from PubChem (CID 139264111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).