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

C11H5F13 — CID 18619132

IUPAC2-(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)C(F)(F)C(F)(F)C1=CCC=C1
InChIInChI=1S/C11H5F13/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/h1,3-4H,2H2
InChIKeyDPZIJTRRNXVFNV-UHFFFAOYSA-N
MW384.14 g/mol
LogP5.61
Rot. Bonds5

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

2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene (PubChem CID 18619132) has the molecular formula C11H5F13 and a molecular weight of 384.14 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene
PubChem CID18619132
Molecular FormulaC11H5F13
Molecular Weight384.14 g/mol
Exact Mass384.02
IUPAC Name2-(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)C(F)(F)C(F)(F)C1=CCC=C1
InChIInChI=1S/C11H5F13/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/h1,3-4H,2H2
InChIKeyDPZIJTRRNXVFNV-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.14
LogP ≤ 55.61
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 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene (CID 18619132) is 2-(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-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(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)C(F)(F)C(F)(F)C1=CCC=C1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene?
The InChIKey is DPZIJTRRNXVFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F13/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/h1,3-4H,2H2.
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene?
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene has a molecular weight of 384.14 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopenta-1,3-diene is sourced from PubChem (CID 18619132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).