1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane

C9H7F11 — CID 22173776

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane
SMILESCC(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H7F11/c1-3(2)4(10)5(11,12)7(15,16)9(19,20)8(17,18)6(4,13)14/h3H,1-2H3
InChIKeyQTSLLLOCJZMSKN-UHFFFAOYSA-N
MW324.13 g/mol
LogP4.54
Rot. Bonds1

About 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane (PubChem CID 22173776) has the molecular formula C9H7F11 and a molecular weight of 324.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane
PubChem CID22173776
Molecular FormulaC9H7F11
Molecular Weight324.13 g/mol
Exact Mass324.04
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane
SMILESCC(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H7F11/c1-3(2)4(10)5(11,12)7(15,16)9(19,20)8(17,18)6(4,13)14/h3H,1-2H3
InChIKeyQTSLLLOCJZMSKN-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 54.54
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-propan-2-ylcyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane (CID 22173776) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane is CC(C)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-propan-2-ylcyclohexane?
The InChIKey is QTSLLLOCJZMSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F11/c1-3(2)4(10)5(11,12)7(15,16)9(19,20)8(17,18)6(4,13)14/h3H,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane has a molecular weight of 324.13 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-propan-2-ylcyclohexane is sourced from PubChem (CID 22173776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).