1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane

C10F18 — CID 141132250

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

About 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane (PubChem CID 141132250) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane
PubChem CID141132250
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane
SMILESFC(=C(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10F18/c11-1(2(12)4(15,16)17)3(13,14)5(18)6(19,20)8(23,24)10(27,28)9(25,26)7(5,21)22
InChIKeyQNRUONRERMIMCG-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 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane (CID 141132250) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane is FC(=C(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane?
The InChIKey is QNRUONRERMIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-1(2(12)4(15,16)17)3(13,14)5(18)6(19,20)8(23,24)10(27,28)9(25,26)7(5,21)22.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane 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 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,3,4,4,4-heptafluorobut-2-enyl)cyclohexane is sourced from PubChem (CID 141132250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).