1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene

C13F24 — CID 155681387

IUPAC1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13F24/c14-2-1(4(16,17)7(22,23)8(24,25)5(2,18)19)3(15,12(32,33)34)6(20,21)9(26,27)10(28,29)11(30,31)13(35,36)37
InChIKeyJSTZDHCYURLFJQ-UHFFFAOYSA-N
MW612.09 g/mol
LogP8.14
Rot. Bonds5

About 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene

1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene (PubChem CID 155681387) has the molecular formula C13F24 and a molecular weight of 612.09 g/mol. Its IUPAC name is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene.

Molecular Properties

Compound Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene
PubChem CID155681387
Molecular FormulaC13F24
Molecular Weight612.09 g/mol
Exact Mass611.96
IUPAC Name1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13F24/c14-2-1(4(16,17)7(22,23)8(24,25)5(2,18)19)3(15,12(32,33)34)6(20,21)9(26,27)10(28,29)11(30,31)13(35,36)37
InChIKeyJSTZDHCYURLFJQ-UHFFFAOYSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.09
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene?
The IUPAC name of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene (CID 155681387) is 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene.
What is the SMILES notation for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene?
The canonical SMILES for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene is FC1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene?
The InChIKey is JSTZDHCYURLFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F24/c14-2-1(4(16,17)7(22,23)8(24,25)5(2,18)19)3(15,12(32,33)34)6(20,21)9(26,27)10(28,29)11(30,31)13(35,36)37.
What are the key properties of 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene?
1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene has a molecular weight of 612.09 g/mol, XLogP of 8.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5,6,6-nonafluoro-2-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclohexene is sourced from PubChem (CID 155681387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).