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

C8F14 — CID 54519398

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane
SMILESFC(F)=C(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-1(2(10)11)3(12)4(13,14)6(17,18)8(21,22)7(19,20)5(3,15)16
InChIKeyYORYPQNMJAMEPB-UHFFFAOYSA-N
MW362.06 g/mol
LogP4.96
Rot. Bonds1

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

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane (PubChem CID 54519398) has the molecular formula C8F14 and a molecular weight of 362.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane
PubChem CID54519398
Molecular FormulaC8F14
Molecular Weight362.06 g/mol
Exact Mass361.98
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane
SMILESFC(F)=C(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-1(2(10)11)3(12)4(13,14)6(17,18)8(21,22)7(19,20)5(3,15)16
InChIKeyYORYPQNMJAMEPB-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.06
LogP ≤ 54.96
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-(1,2,2-trifluoroethenyl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane (CID 54519398) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane is FC(F)=C(F)C1(F)C(F)(F)C(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-(1,2,2-trifluoroethenyl)cyclohexane?
The InChIKey is YORYPQNMJAMEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14/c9-1(2(10)11)3(12)4(13,14)6(17,18)8(21,22)7(19,20)5(3,15)16.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,2,2-trifluoroethenyl)cyclohexane has a molecular weight of 362.06 g/mol, XLogP of 4.96, 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-(1,2,2-trifluoroethenyl)cyclohexane is sourced from PubChem (CID 54519398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).