1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane

C10F18 — CID 175350978

IUPAC1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane
SMILESFC(F)=C(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10F18/c11-1(2(12)13)3(9(23,24)25)5(15,16)4(14,10(26,27)28)7(19,20)8(21,22)6(3,17)18
InChIKeyABUKCMQXPPXQSU-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.44
Rot. Bonds1

About 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane

1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane (PubChem CID 175350978) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane
PubChem CID175350978
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane
SMILESFC(F)=C(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10F18/c11-1(2(12)13)3(9(23,24)25)5(15,16)4(14,10(26,27)28)7(19,20)8(21,22)6(3,17)18
InChIKeyABUKCMQXPPXQSU-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane (CID 175350978) is 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane is FC(F)=C(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane?
The InChIKey is ABUKCMQXPPXQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-1(2(12)13)3(9(23,24)25)5(15,16)4(14,10(26,27)28)7(19,20)8(21,22)6(3,17)18.
What are the key properties of 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane?
1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane has a molecular weight of 462.07 g/mol, XLogP of 6.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5,5-nonafluoro-6-(1,2,2-trifluoroethenyl)-4,6-bis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 175350978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).