1,1,1,6,6,6-hexafluorohexa-2,4-diene

C6H4F6 — CID 71367258

IUPAC1,1,1,6,6,6-hexafluorohexa-2,4-diene
SMILESFC(F)(F)C=CC=CC(F)(F)F
InChIInChI=1S/C6H4F6/c7-5(8,9)3-1-2-4-6(10,11)12/h1-4H
InChIKeyLDANJOVJADNJFH-UHFFFAOYSA-N
MW190.09 g/mol
LogP3.22
Rot. Bonds1

About 1,1,1,6,6,6-hexafluorohexa-2,4-diene

1,1,1,6,6,6-hexafluorohexa-2,4-diene (PubChem CID 71367258) has the molecular formula C6H4F6 and a molecular weight of 190.09 g/mol. Its IUPAC name is 1,1,1,6,6,6-hexafluorohexa-2,4-diene.

Molecular Properties

Compound Name1,1,1,6,6,6-hexafluorohexa-2,4-diene
PubChem CID71367258
Molecular FormulaC6H4F6
Molecular Weight190.09 g/mol
Exact Mass190.02
IUPAC Name1,1,1,6,6,6-hexafluorohexa-2,4-diene
SMILESFC(F)(F)C=CC=CC(F)(F)F
InChIInChI=1S/C6H4F6/c7-5(8,9)3-1-2-4-6(10,11)12/h1-4H
InChIKeyLDANJOVJADNJFH-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 53.22
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 1,1,1,6,6,6-hexafluorohexa-2,4-diene?
The IUPAC name of 1,1,1,6,6,6-hexafluorohexa-2,4-diene (CID 71367258) is 1,1,1,6,6,6-hexafluorohexa-2,4-diene.
What is the SMILES notation for 1,1,1,6,6,6-hexafluorohexa-2,4-diene?
The canonical SMILES for 1,1,1,6,6,6-hexafluorohexa-2,4-diene is FC(F)(F)C=CC=CC(F)(F)F.
What is the InChIKey of 1,1,1,6,6,6-hexafluorohexa-2,4-diene?
The InChIKey is LDANJOVJADNJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6/c7-5(8,9)3-1-2-4-6(10,11)12/h1-4H.
What are the key properties of 1,1,1,6,6,6-hexafluorohexa-2,4-diene?
1,1,1,6,6,6-hexafluorohexa-2,4-diene has a molecular weight of 190.09 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,6,6,6-hexafluorohexa-2,4-diene is sourced from PubChem (CID 71367258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).