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

C6Cl2F6 — CID 5375030

IUPAC(1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene
SMILESF/C(Cl)=C(F)/C(F)=C(F)/C(F)=C(/F)Cl
InChIInChI=1S/C6Cl2F6/c7-5(13)3(11)1(9)2(10)4(12)6(8)14/b2-1+,5-3-,6-4-
InChIKeyAXDQUDHOOWDFDE-IVHLZNQZSA-N
MW256.96 g/mol
LogP4.83
Rot. Bonds2

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

(1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene (PubChem CID 5375030) has the molecular formula C6Cl2F6 and a molecular weight of 256.96 g/mol. Its IUPAC name is (1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene
PubChem CID5375030
Molecular FormulaC6Cl2F6
Molecular Weight256.96 g/mol
Exact Mass255.93
IUPAC Name(1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene
SMILESF/C(Cl)=C(F)/C(F)=C(F)/C(F)=C(/F)Cl
InChIInChI=1S/C6Cl2F6/c7-5(13)3(11)1(9)2(10)4(12)6(8)14/b2-1+,5-3-,6-4-
InChIKeyAXDQUDHOOWDFDE-IVHLZNQZSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.96
LogP ≤ 54.83
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 (1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene?
The IUPAC name of (1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene (CID 5375030) is (1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene.
What is the SMILES notation for (1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene?
The canonical SMILES for (1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene is F/C(Cl)=C(F)/C(F)=C(F)/C(F)=C(/F)Cl.
What is the InChIKey of (1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene?
The InChIKey is AXDQUDHOOWDFDE-IVHLZNQZSA-N. The full InChI is InChI=1S/C6Cl2F6/c7-5(13)3(11)1(9)2(10)4(12)6(8)14/b2-1+,5-3-,6-4-.
What are the key properties of (1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene?
(1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene has a molecular weight of 256.96 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-1,6-dichloro-1,2,3,4,5,6-hexafluorohexa-1,3,5-triene is sourced from PubChem (CID 5375030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).