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

C8H2F14S — CID 87154345

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane
SMILESFC(F)(F)CSC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F14S/c9-2(10,11)1-23-8(22)6(18,19)4(14,15)3(12,13)5(16,17)7(8,20)21/h1H2
InChIKeyNYOWKPMFKLBVBD-UHFFFAOYSA-N
MW396.14 g/mol
LogP5.14
Rot. Bonds2

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

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane (PubChem CID 87154345) has the molecular formula C8H2F14S and a molecular weight of 396.14 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane
PubChem CID87154345
Molecular FormulaC8H2F14S
Molecular Weight396.14 g/mol
Exact Mass395.97
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane
SMILESFC(F)(F)CSC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H2F14S/c9-2(10,11)1-23-8(22)6(18,19)4(14,15)3(12,13)5(16,17)7(8,20)21/h1H2
InChIKeyNYOWKPMFKLBVBD-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.14
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,2,2-trifluoroethylsulfanyl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane (CID 87154345) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane is FC(F)(F)CSC1(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-(2,2,2-trifluoroethylsulfanyl)cyclohexane?
The InChIKey is NYOWKPMFKLBVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F14S/c9-2(10,11)1-23-8(22)6(18,19)4(14,15)3(12,13)5(16,17)7(8,20)21/h1H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2,2,2-trifluoroethylsulfanyl)cyclohexane has a molecular weight of 396.14 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 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-(2,2,2-trifluoroethylsulfanyl)cyclohexane is sourced from PubChem (CID 87154345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).