1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene

C11F20 — CID 10896512

IUPAC1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene
SMILESFC1=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F20/c12-2-1(3(13,14)6(19,20)5(2,17)18)4(15,16)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)31
InChIKeyKCBDXXQRVRKVAK-UHFFFAOYSA-N
MW512.08 g/mol
LogP6.87
Rot. Bonds5

About 1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene (PubChem CID 10896512) has the molecular formula C11F20 and a molecular weight of 512.08 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene
PubChem CID10896512
Molecular FormulaC11F20
Molecular Weight512.08 g/mol
Exact Mass511.97
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene
SMILESFC1=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11F20/c12-2-1(3(13,14)6(19,20)5(2,17)18)4(15,16)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)31
InChIKeyKCBDXXQRVRKVAK-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.08
LogP ≤ 56.87
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 1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene (CID 10896512) is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene is FC1=C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene?
The InChIKey is KCBDXXQRVRKVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F20/c12-2-1(3(13,14)6(19,20)5(2,17)18)4(15,16)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)31.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene has a molecular weight of 512.08 g/mol, XLogP of 6.87, 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-heptafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclopentene is sourced from PubChem (CID 10896512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).