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

C11F20 — CID 12563818

IUPAC3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11F20/c12-3(8(20,21)22,9(23,24)25)1-2(4(13,10(26,27)28)11(29,30)31)6(16,17)7(18,19)5(1,14)15
InChIKeyHERRJKHZOLDGOG-UHFFFAOYSA-N
MW512.08 g/mol
LogP6.87
Rot. Bonds2

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

3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene (PubChem CID 12563818) has the molecular formula C11F20 and a molecular weight of 512.08 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
PubChem CID12563818
Molecular FormulaC11F20
Molecular Weight512.08 g/mol
Exact Mass511.97
IUPAC Name3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
SMILESFC(F)(F)C(F)(C1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C11F20/c12-3(8(20,21)22,9(23,24)25)1-2(4(13,10(26,27)28)11(29,30)31)6(16,17)7(18,19)5(1,14)15
InChIKeyHERRJKHZOLDGOG-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': '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(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene (CID 12563818) is 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene is FC(F)(F)C(F)(C1=C(C(F)(C(F)(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(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
The InChIKey is HERRJKHZOLDGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F20/c12-3(8(20,21)22,9(23,24)25)1-2(4(13,10(26,27)28)11(29,30)31)6(16,17)7(18,19)5(1,14)15.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
3,3,4,4,5,5-hexafluoro-1,2-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene has a molecular weight of 512.08 g/mol, XLogP of 6.87, 2 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(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene is sourced from PubChem (CID 12563818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).