2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene

C15H4F22 — CID 101176818

IUPAC2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
InChIInChI=1S/C15H4F22/c16-6(17,8(20,21)10(24,25)11(26,27)13(30,31)15(35,36)37)4-1-2-5(3-4)7(18,19)9(22,23)12(28,29)14(32,33)34/h1-4H
InChIKeySFKNRAUUXVBTEJ-UHFFFAOYSA-N
MW602.15 g/mol
LogP8.31
Rot. Bonds8

About 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene

2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene (PubChem CID 101176818) has the molecular formula C15H4F22 and a molecular weight of 602.15 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene
PubChem CID101176818
Molecular FormulaC15H4F22
Molecular Weight602.15 g/mol
Exact Mass602.00
IUPAC Name2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
InChIInChI=1S/C15H4F22/c16-6(17,8(20,21)10(24,25)11(26,27)13(30,31)15(35,36)37)4-1-2-5(3-4)7(18,19)9(22,23)12(28,29)14(32,33)34/h1-4H
InChIKeySFKNRAUUXVBTEJ-UHFFFAOYSA-N
XLogP8.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.15
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene (CID 101176818) is 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene?
The InChIKey is SFKNRAUUXVBTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4F22/c16-6(17,8(20,21)10(24,25)11(26,27)13(30,31)15(35,36)37)4-1-2-5(3-4)7(18,19)9(22,23)12(28,29)14(32,33)34/h1-4H.
What are the key properties of 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene?
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene has a molecular weight of 602.15 g/mol, XLogP of 8.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene is sourced from PubChem (CID 101176818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).