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

C6H4F8 — CID 15828066

IUPAC3,3,4,4,5,5,6,6-octafluorohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H4F8/c1-2-4(9,10)6(13,14)5(11,12)3(7)8/h2-3H,1H2
InChIKeyAMSKBEPWWFORCT-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.34
Rot. Bonds4

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

3,3,4,4,5,5,6,6-octafluorohex-1-ene (PubChem CID 15828066) has the molecular formula C6H4F8 and a molecular weight of 228.08 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluorohex-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluorohex-1-ene
PubChem CID15828066
Molecular FormulaC6H4F8
Molecular Weight228.08 g/mol
Exact Mass228.02
IUPAC Name3,3,4,4,5,5,6,6-octafluorohex-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C6H4F8/c1-2-4(9,10)6(13,14)5(11,12)3(7)8/h2-3H,1H2
InChIKeyAMSKBEPWWFORCT-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.34
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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Related Compounds

3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene
CID 88054
3,3,4,4,4-Pentafluorobut-1-ene
CID 78990
3,3,4,4,5,5,5-Heptafluoropent-1-ene
CID 67727
3,3,4,4,5,5,6,6-Octafluoroocta-1,7-diene
CID 69620
4,4,5,5,6,6,7,7,7-Nonafluoro-1-heptene
CID 11579778
4,4,5,5,6,6,7,7,7-Nonafluorohepta-1,2-diene
CID 14816571
3,3,4,4,5,5,6,6,7,7,7-Undecafluorohept-1-ene
CID 3019664
1H-Perfluorohex-1-ene
CID 21455498
Ethene;3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene;1,1,2,2-tetrafluoroethene
CID 176369
(1Z)-1,2,3,3,4,4,5,5,6,6,6-Undecafluorohex-1-ene
CID 14922985
(1E)-1,2,3,3,4,4,5,5,6,6,6-Undecafluorohex-1-ene
CID 71669145
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluorohex-1-ene?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluorohex-1-ene (CID 15828066) is 3,3,4,4,5,5,6,6-octafluorohex-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluorohex-1-ene?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluorohex-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluorohex-1-ene?
The InChIKey is AMSKBEPWWFORCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8/c1-2-4(9,10)6(13,14)5(11,12)3(7)8/h2-3H,1H2.
What are the key properties of 3,3,4,4,5,5,6,6-octafluorohex-1-ene?
3,3,4,4,5,5,6,6-octafluorohex-1-ene has a molecular weight of 228.08 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluorohex-1-ene is sourced from PubChem (CID 15828066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).