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

C8F14 — CID 12563817

IUPAC1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-2-1(3(10,7(17,18)19)8(20,21)22)4(11,12)6(15,16)5(2,13)14
InChIKeySKROLHMHTXAQMQ-UHFFFAOYSA-N
MW362.06 g/mol
LogP4.96
Rot. Bonds1

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

1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene (PubChem CID 12563817) has the molecular formula C8F14 and a molecular weight of 362.06 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
PubChem CID12563817
Molecular FormulaC8F14
Molecular Weight362.06 g/mol
Exact Mass361.98
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
SMILESFC1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8F14/c9-2-1(3(10,7(17,18)19)8(20,21)22)4(11,12)6(15,16)5(2,13)14
InChIKeySKROLHMHTXAQMQ-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.06
LogP ≤ 54.96
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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene (CID 12563817) is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene is FC1=C(C(F)(C(F)(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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
The InChIKey is SKROLHMHTXAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F14/c9-2-1(3(10,7(17,18)19)8(20,21)22)4(11,12)6(15,16)5(2,13)14.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene has a molecular weight of 362.06 g/mol, XLogP of 4.96, 1 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-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene is sourced from PubChem (CID 12563817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).