1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane

C12F20 — CID 71391659

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane
SMILESFC1=C(F)C(F)(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F20/c13-1-2(14)4(16,17)7(21,22)6(19,20)3(1,15)5(18)8(23,24)10(27,28)12(31,32)11(29,30)9(5,25)26
InChIKeyQPHQYIDNCAUAOM-UHFFFAOYSA-N
MW524.09 g/mol
LogP6.66
Rot. Bonds1

About 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane (PubChem CID 71391659) has the molecular formula C12F20 and a molecular weight of 524.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane
PubChem CID71391659
Molecular FormulaC12F20
Molecular Weight524.09 g/mol
Exact Mass523.97
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane
SMILESFC1=C(F)C(F)(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F20/c13-1-2(14)4(16,17)7(21,22)6(19,20)3(1,15)5(18)8(23,24)10(27,28)12(31,32)11(29,30)9(5,25)26
InChIKeyQPHQYIDNCAUAOM-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.09
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane (CID 71391659) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane is FC1=C(F)C(F)(C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane?
The InChIKey is QPHQYIDNCAUAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F20/c13-1-2(14)4(16,17)7(21,22)6(19,20)3(1,15)5(18)8(23,24)10(27,28)12(31,32)11(29,30)9(5,25)26.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane has a molecular weight of 524.09 g/mol, XLogP of 6.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,3,4,4,5,5,6,6-nonafluorocyclohex-2-en-1-yl)cyclohexane is sourced from PubChem (CID 71391659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).