3,3,4,4,5,5-hexafluoropent-1-ene

C5H4F6 — CID 54201357

IUPAC3,3,4,4,5,5-hexafluoropent-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H4F6/c1-2-4(8,9)5(10,11)3(6)7/h2-3H,1H2
InChIKeyPKUZPPBHVCCZLL-UHFFFAOYSA-N
MW178.08 g/mol
LogP2.71
Rot. Bonds3

About 3,3,4,4,5,5-hexafluoropent-1-ene

3,3,4,4,5,5-hexafluoropent-1-ene (PubChem CID 54201357) has the molecular formula C5H4F6 and a molecular weight of 178.08 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoropent-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoropent-1-ene
PubChem CID54201357
Molecular FormulaC5H4F6
Molecular Weight178.08 g/mol
Exact Mass178.02
IUPAC Name3,3,4,4,5,5-hexafluoropent-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H4F6/c1-2-4(8,9)5(10,11)3(6)7/h2-3H,1H2
InChIKeyPKUZPPBHVCCZLL-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 52.71
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-hexafluoropent-1-ene?
The IUPAC name of 3,3,4,4,5,5-hexafluoropent-1-ene (CID 54201357) is 3,3,4,4,5,5-hexafluoropent-1-ene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoropent-1-ene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoropent-1-ene is C=CC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoropent-1-ene?
The InChIKey is PKUZPPBHVCCZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6/c1-2-4(8,9)5(10,11)3(6)7/h2-3H,1H2.
What are the key properties of 3,3,4,4,5,5-hexafluoropent-1-ene?
3,3,4,4,5,5-hexafluoropent-1-ene has a molecular weight of 178.08 g/mol, XLogP of 2.71, 3 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-hexafluoropent-1-ene is sourced from PubChem (CID 54201357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).