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

C8HF13 — CID 175474450

IUPAC1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene
SMILESFC1=C(C(F)(C(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF13/c9-2-1(4(12,3(10)11)8(19,20)21)5(13,14)7(17,18)6(2,15)16/h3H
InChIKeySZEKTERHARFTQP-UHFFFAOYSA-N
MW344.07 g/mol
LogP4.67
Rot. Bonds2

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

1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene (PubChem CID 175474450) has the molecular formula C8HF13 and a molecular weight of 344.07 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene
PubChem CID175474450
Molecular FormulaC8HF13
Molecular Weight344.07 g/mol
Exact Mass343.99
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene
SMILESFC1=C(C(F)(C(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8HF13/c9-2-1(4(12,3(10)11)8(19,20)21)5(13,14)7(17,18)6(2,15)16/h3H
InChIKeySZEKTERHARFTQP-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.07
LogP ≤ 54.67
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-hexafluoropropan-2-yl)cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene (CID 175474450) is 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene is FC1=C(C(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-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene?
The InChIKey is SZEKTERHARFTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF13/c9-2-1(4(12,3(10)11)8(19,20)21)5(13,14)7(17,18)6(2,15)16/h3H.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-(1,1,1,2,3,3-hexafluoropropan-2-yl)cyclopentene has a molecular weight of 344.07 g/mol, XLogP of 4.67, 2 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-hexafluoropropan-2-yl)cyclopentene is sourced from PubChem (CID 175474450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).