(3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene

C6F8 — CID 5373470

IUPAC(3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene
SMILESFC(F)=C(F)/C(F)=C(\F)C(F)=C(F)F
InChIInChI=1S/C6F8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/b2-1+
InChIKeyZSUMCLJAVFCPFL-OWOJBTEDSA-N
MW224.05 g/mol
LogP4.29
Rot. Bonds2

About (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene

(3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene (PubChem CID 5373470) has the molecular formula C6F8 and a molecular weight of 224.05 g/mol. Its IUPAC name is (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene
PubChem CID5373470
Molecular FormulaC6F8
Molecular Weight224.05 g/mol
Exact Mass223.99
IUPAC Name(3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene
SMILESFC(F)=C(F)/C(F)=C(\F)C(F)=C(F)F
InChIInChI=1S/C6F8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/b2-1+
InChIKeyZSUMCLJAVFCPFL-OWOJBTEDSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene?
The IUPAC name of (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene (CID 5373470) is (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene.
What is the SMILES notation for (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene?
The canonical SMILES for (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene is FC(F)=C(F)/C(F)=C(\F)C(F)=C(F)F.
What is the InChIKey of (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene?
The InChIKey is ZSUMCLJAVFCPFL-OWOJBTEDSA-N. The full InChI is InChI=1S/C6F8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/b2-1+.
What are the key properties of (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene?
(3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene has a molecular weight of 224.05 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1,2,3,4,5,6,6-octafluorohexa-1,3,5-triene is sourced from PubChem (CID 5373470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).