3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene

C15F28 — CID 155681389

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C15F28/c16-3(12(32,33)34,7(22,23)10(28,29)14(38,39)40)1-2(6(20,21)9(26,27)5(1,18)19)4(17,13(35,36)37)8(24,25)11(30,31)15(41,42)43
InChIKeyAXVMMVLIUJDTBD-UHFFFAOYSA-N
MW712.11 g/mol
LogP9.41
Rot. Bonds6

About 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene

3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene (PubChem CID 155681389) has the molecular formula C15F28 and a molecular weight of 712.11 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene
PubChem CID155681389
Molecular FormulaC15F28
Molecular Weight712.11 g/mol
Exact Mass711.96
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C15F28/c16-3(12(32,33)34,7(22,23)10(28,29)14(38,39)40)1-2(6(20,21)9(26,27)5(1,18)19)4(17,13(35,36)37)8(24,25)11(30,31)15(41,42)43
InChIKeyAXVMMVLIUJDTBD-UHFFFAOYSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.11
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene (CID 155681389) is 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene is FC(F)(F)C(F)(F)C(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene?
The InChIKey is AXVMMVLIUJDTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15F28/c16-3(12(32,33)34,7(22,23)10(28,29)14(38,39)40)1-2(6(20,21)9(26,27)5(1,18)19)4(17,13(35,36)37)8(24,25)11(30,31)15(41,42)43.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene has a molecular weight of 712.11 g/mol, XLogP of 9.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-yl)cyclopentene is sourced from PubChem (CID 155681389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).