1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene

C6F8 — CID 173386822

IUPAC1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene
SMILESFC(F)=C=C(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6F8/c7-2(1-3(8)9)6(13,14)4(10)5(11)12
InChIKeyGEWAGYYQLLZRRM-UHFFFAOYSA-N
MW224.05 g/mol
LogP3.93
Rot. Bonds2

About 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene

1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene (PubChem CID 173386822) has the molecular formula C6F8 and a molecular weight of 224.05 g/mol. Its IUPAC name is 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene.

Molecular Properties

Compound Name1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene
PubChem CID173386822
Molecular FormulaC6F8
Molecular Weight224.05 g/mol
Exact Mass223.99
IUPAC Name1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene
SMILESFC(F)=C=C(F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C6F8/c7-2(1-3(8)9)6(13,14)4(10)5(11)12
InChIKeyGEWAGYYQLLZRRM-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Hexafluorocyclobutene
CID 12767
1,1,2,3,3,4,4,4-Octafluorobut-1-ene
CID 67745
Perfluorohex-1-ene
CID 69786
Perfluoropent-1-ene
CID 78996
1,1,2,3,4,4,4-Heptafluoro-3-(trifluoromethyl)but-1-ene
CID 88954
1,1,3,4,4,5,5,5-Octafluoro-1,2-pentadiene
CID 13513475
4H-Perfluoro-1-butene
CID 2774880
3,3-Bis(trifluoromethyl)-1,1,2,4,4,4-hexafluoro-1-butene
CID 12779608
1,1,2,3,3,4,4,5,6,6-Decafluorohexa-1,5-diene
CID 14203450
1,1,4,4,5,5,5-Heptafluoro-3-(trifluoromethyl)penta-1,2-diene
CID 23236330
Octafluoro-1,4-pentadiene
CID 13223781
1,1,2,4,4,4-Hexafluorobut-1-ene
CID 21096853

Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene?
The IUPAC name of 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene (CID 173386822) is 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene.
What is the SMILES notation for 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene?
The canonical SMILES for 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene is FC(F)=C=C(F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene?
The InChIKey is GEWAGYYQLLZRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F8/c7-2(1-3(8)9)6(13,14)4(10)5(11)12.
What are the key properties of 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene?
1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene has a molecular weight of 224.05 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,5,6,6-octafluorohexa-1,2,5-triene is sourced from PubChem (CID 173386822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).