3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene

C8H6F8 — CID 22277939

IUPAC3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene
SMILESC=CC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F8/c1-3-5(9,4-2)6(10,11)7(12,13)8(14,15)16/h3-4H,1-2H2
InChIKeyZSFNQQWWPWBYFT-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.90
Rot. Bonds4

About 3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene

3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene (PubChem CID 22277939) has the molecular formula C8H6F8 and a molecular weight of 254.12 g/mol. Its IUPAC name is 3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene.

Molecular Properties

Compound Name3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene
PubChem CID22277939
Molecular FormulaC8H6F8
Molecular Weight254.12 g/mol
Exact Mass254.03
IUPAC Name3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene
SMILESC=CC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6F8/c1-3-5(9,4-2)6(10,11)7(12,13)8(14,15)16/h3-4H,1-2H2
InChIKeyZSFNQQWWPWBYFT-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.90
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-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene?
The IUPAC name of 3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene (CID 22277939) is 3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene.
What is the SMILES notation for 3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene?
The canonical SMILES for 3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene is C=CC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene?
The InChIKey is ZSFNQQWWPWBYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8/c1-3-5(9,4-2)6(10,11)7(12,13)8(14,15)16/h3-4H,1-2H2.
What are the key properties of 3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene?
3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene has a molecular weight of 254.12 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,4,4,5,5,6,6,6-octafluorohex-1-ene is sourced from PubChem (CID 22277939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).