1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane

C11H9F13 — CID 59248247

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCC1
InChIInChI=1S/C11H9F13/c12-6(13,5-3-1-2-4-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,1-4H2
InChIKeyMGKSUPSNIPDKLO-UHFFFAOYSA-N
MW388.17 g/mol
LogP5.92
Rot. Bonds5

About 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane (PubChem CID 59248247) has the molecular formula C11H9F13 and a molecular weight of 388.17 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane
PubChem CID59248247
Molecular FormulaC11H9F13
Molecular Weight388.17 g/mol
Exact Mass388.05
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCC1
InChIInChI=1S/C11H9F13/c12-6(13,5-3-1-2-4-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,1-4H2
InChIKeyMGKSUPSNIPDKLO-UHFFFAOYSA-N
XLogP5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.17
LogP ≤ 55.92
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 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane (CID 59248247) is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCC1.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane?
The InChIKey is MGKSUPSNIPDKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F13/c12-6(13,5-3-1-2-4-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,1-4H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane?
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane has a molecular weight of 388.17 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylcyclopentane is sourced from PubChem (CID 59248247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).