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

C11F20 — CID 155681407

IUPAC1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F20/c12-2-1(4(14,15)7(20,21)8(22,23)5(2,16)17)3(13,10(26,27)28)6(18,19)9(24,25)11(29,30)31
InChIKeyCSWFRNXHROGABF-UHFFFAOYSA-N
MW512.08 g/mol
LogP6.87
Rot. Bonds3

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

1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene (PubChem CID 155681407) has the molecular formula C11F20 and a molecular weight of 512.08 g/mol. Its IUPAC name is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene
PubChem CID155681407
Molecular FormulaC11F20
Molecular Weight512.08 g/mol
Exact Mass511.97
IUPAC Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F20/c12-2-1(4(14,15)7(20,21)8(22,23)5(2,16)17)3(13,10(26,27)28)6(18,19)9(24,25)11(29,30)31
InChIKeyCSWFRNXHROGABF-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.08
LogP ≤ 56.87
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-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene?
The IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene (CID 155681407) is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene is FC1=C(C(F)(C(F)(F)F)C(F)(F)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-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene?
The InChIKey is CSWFRNXHROGABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F20/c12-2-1(4(14,15)7(20,21)8(22,23)5(2,16)17)3(13,10(26,27)28)6(18,19)9(24,25)11(29,30)31.
What are the key properties of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene?
1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene has a molecular weight of 512.08 g/mol, XLogP of 6.87, 3 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-(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclohexene is sourced from PubChem (CID 155681407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).