1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane

C10F20O — CID 11103279

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane
SMILESFC(F)(F)OC(C(F)(F)F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F20O/c11-1(2(8(22,23)24,9(25,26)27)31-10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(1,14)15
InChIKeyPQMXHTDKFQRCOF-UHFFFAOYSA-N
MW516.07 g/mol
LogP6.28
Rot. Bonds2

About 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane (PubChem CID 11103279) has the molecular formula C10F20O and a molecular weight of 516.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane
PubChem CID11103279
Molecular FormulaC10F20O
Molecular Weight516.07 g/mol
Exact Mass515.96
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane
SMILESFC(F)(F)OC(C(F)(F)F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10F20O/c11-1(2(8(22,23)24,9(25,26)27)31-10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(1,14)15
InChIKeyPQMXHTDKFQRCOF-UHFFFAOYSA-N
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.07
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-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-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane (CID 11103279) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane is FC(F)(F)OC(C(F)(F)F)(C(F)(F)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-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane?
The InChIKey is PQMXHTDKFQRCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20O/c11-1(2(8(22,23)24,9(25,26)27)31-10(28,29)30)3(12,13)5(16,17)7(20,21)6(18,19)4(1,14)15.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane has a molecular weight of 516.07 g/mol, XLogP of 6.28, 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-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethoxy)propan-2-yl]cyclohexane is sourced from PubChem (CID 11103279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).