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

C10F20 — CID 54081913

IUPAC1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10F20/c11-1(8(22,23)24)2(12,9(25,26)27)5(16,17)6(18,19)3(13,4(1,14)15)7(20,21)10(28,29)30
InChIKeyMNSNVRXZINIHOY-UHFFFAOYSA-N
MW500.07 g/mol
LogP6.35
Rot. Bonds1

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

1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane (PubChem CID 54081913) has the molecular formula C10F20 and a molecular weight of 500.07 g/mol. Its IUPAC name is 1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane
PubChem CID54081913
Molecular FormulaC10F20
Molecular Weight500.07 g/mol
Exact Mass499.97
IUPAC Name1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10F20/c11-1(8(22,23)24)2(12,9(25,26)27)5(16,17)6(18,19)3(13,4(1,14)15)7(20,21)10(28,29)30
InChIKeyMNSNVRXZINIHOY-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.07
LogP ≤ 56.35
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 1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane?
The IUPAC name of 1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane (CID 54081913) is 1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane is FC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane?
The InChIKey is MNSNVRXZINIHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20/c11-1(8(22,23)24)2(12,9(25,26)27)5(16,17)6(18,19)3(13,4(1,14)15)7(20,21)10(28,29)30.
What are the key properties of 1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane?
1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane has a molecular weight of 500.07 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 54081913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).