3,3,4,4,5,5-hexafluorocyclopentene

C5H2F6 — CID 11309822

IUPAC3,3,4,4,5,5-hexafluorocyclopentene
SMILESFC1(F)C=CC(F)(F)C1(F)F
InChIInChI=1S/C5H2F6/c6-3(7)1-2-4(8,9)5(3,10)11/h1-2H
InChIKeyFHQKLIHFKVAEEP-UHFFFAOYSA-N
MW176.06 g/mol
LogP2.46
Rot. Bonds

About 3,3,4,4,5,5-hexafluorocyclopentene

3,3,4,4,5,5-hexafluorocyclopentene (PubChem CID 11309822) has the molecular formula C5H2F6 and a molecular weight of 176.06 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluorocyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluorocyclopentene
PubChem CID11309822
Molecular FormulaC5H2F6
Molecular Weight176.06 g/mol
Exact Mass176.01
IUPAC Name3,3,4,4,5,5-hexafluorocyclopentene
SMILESFC1(F)C=CC(F)(F)C1(F)F
InChIInChI=1S/C5H2F6/c6-3(7)1-2-4(8,9)5(3,10)11/h1-2H
InChIKeyFHQKLIHFKVAEEP-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 52.46
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-hexafluorocyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluorocyclopentene (CID 11309822) is 3,3,4,4,5,5-hexafluorocyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluorocyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluorocyclopentene is FC1(F)C=CC(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluorocyclopentene?
The InChIKey is FHQKLIHFKVAEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6/c6-3(7)1-2-4(8,9)5(3,10)11/h1-2H.
What are the key properties of 3,3,4,4,5,5-hexafluorocyclopentene?
3,3,4,4,5,5-hexafluorocyclopentene has a molecular weight of 176.06 g/mol, XLogP of 2.46, 0 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-hexafluorocyclopentene is sourced from PubChem (CID 11309822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).