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

C10F18 — CID 155681396

IUPAC1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(3(12,9(23,24)25)6(17,18)10(26,27)28)4(13,14)7(19,20)8(21,22)5(2,15)16
InChIKeyAMFDZAFRZZZAEY-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.23
Rot. Bonds2

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

1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene (PubChem CID 155681396) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene
PubChem CID155681396
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F18/c11-2-1(3(12,9(23,24)25)6(17,18)10(26,27)28)4(13,14)7(19,20)8(21,22)5(2,15)16
InChIKeyAMFDZAFRZZZAEY-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.23
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-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene?
The IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene (CID 155681396) is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene is FC1=C(C(F)(C(F)(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-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene?
The InChIKey is AMFDZAFRZZZAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-2-1(3(12,9(23,24)25)6(17,18)10(26,27)28)4(13,14)7(19,20)8(21,22)5(2,15)16.
What are the key properties of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene?
1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene has a molecular weight of 462.07 g/mol, XLogP of 6.23, 2 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-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)cyclohexene is sourced from PubChem (CID 155681396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).