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

C10H9F11 — CID 59386457

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F11/c1-4(2)3-5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h4H,3H2,1-2H3
InChIKeyZQGHTMQBHKPTPQ-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.93
Rot. Bonds2

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

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane (PubChem CID 59386457) has the molecular formula C10H9F11 and a molecular weight of 338.16 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane
PubChem CID59386457
Molecular FormulaC10H9F11
Molecular Weight338.16 g/mol
Exact Mass338.05
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F11/c1-4(2)3-5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h4H,3H2,1-2H3
InChIKeyZQGHTMQBHKPTPQ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.93
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-(2-methylpropyl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane (CID 59386457) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane is CC(C)CC1(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-methylpropyl)cyclohexane?
The InChIKey is ZQGHTMQBHKPTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F11/c1-4(2)3-5(11)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h4H,3H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane has a molecular weight of 338.16 g/mol, XLogP of 4.93, 2 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-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 59386457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).