1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane

C14H11F17 — CID 10962173

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C14H11F17/c15-7(16,6-4-2-1-3-5-6)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6H,1-5H2
InChIKeyBDBGMOMUWMHVFG-UHFFFAOYSA-N
MW502.21 g/mol
LogP7.58
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane (PubChem CID 10962173) has the molecular formula C14H11F17 and a molecular weight of 502.21 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane
PubChem CID10962173
Molecular FormulaC14H11F17
Molecular Weight502.21 g/mol
Exact Mass502.06
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C14H11F17/c15-7(16,6-4-2-1-3-5-6)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6H,1-5H2
InChIKeyBDBGMOMUWMHVFG-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.21
LogP ≤ 57.58
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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane (CID 10962173) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCCC1.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane?
The InChIKey is BDBGMOMUWMHVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F17/c15-7(16,6-4-2-1-3-5-6)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6H,1-5H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane?
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane has a molecular weight of 502.21 g/mol, XLogP of 7.58, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylcyclohexane is sourced from PubChem (CID 10962173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).