1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one

C7H4F6O — CID 87181989

IUPAC1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one
SMILESO=C(C(F)C=C(F)F)C(F)C=C(F)F
InChIInChI=1S/C7H4F6O/c8-3(1-5(10)11)7(14)4(9)2-6(12)13/h1-4H
InChIKeyFFRACHLQMWVAGV-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.79
Rot. Bonds4

About 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one

1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one (PubChem CID 87181989) has the molecular formula C7H4F6O and a molecular weight of 218.10 g/mol. Its IUPAC name is 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one.

Molecular Properties

Compound Name1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one
PubChem CID87181989
Molecular FormulaC7H4F6O
Molecular Weight218.10 g/mol
Exact Mass218.02
IUPAC Name1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one
SMILESO=C(C(F)C=C(F)F)C(F)C=C(F)F
InChIInChI=1S/C7H4F6O/c8-3(1-5(10)11)7(14)4(9)2-6(12)13/h1-4H
InChIKeyFFRACHLQMWVAGV-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one?
The IUPAC name of 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one (CID 87181989) is 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one.
What is the SMILES notation for 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one?
The canonical SMILES for 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one is O=C(C(F)C=C(F)F)C(F)C=C(F)F.
What is the InChIKey of 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one?
The InChIKey is FFRACHLQMWVAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6O/c8-3(1-5(10)11)7(14)4(9)2-6(12)13/h1-4H.
What are the key properties of 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one?
1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one has a molecular weight of 218.10 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,5,7,7-hexafluorohepta-1,6-dien-4-one is sourced from PubChem (CID 87181989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).