1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one

C7F10O — CID 88654491

IUPAC1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one
SMILESO=C(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C7F10O/c8-1(3(10)11)6(14,15)5(18)7(16,17)2(9)4(12)13
InChIKeyHFITUWOKLHTGDV-UHFFFAOYSA-N
MW290.06 g/mol
LogP3.98
Rot. Bonds4

About 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one

1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one (PubChem CID 88654491) has the molecular formula C7F10O and a molecular weight of 290.06 g/mol. Its IUPAC name is 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one.

Molecular Properties

Compound Name1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one
PubChem CID88654491
Molecular FormulaC7F10O
Molecular Weight290.06 g/mol
Exact Mass289.98
IUPAC Name1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one
SMILESO=C(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)=C(F)F
InChIInChI=1S/C7F10O/c8-1(3(10)11)6(14,15)5(18)7(16,17)2(9)4(12)13
InChIKeyHFITUWOKLHTGDV-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.06
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one?
The IUPAC name of 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one (CID 88654491) is 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one.
What is the SMILES notation for 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one?
The canonical SMILES for 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one is O=C(C(F)(F)C(F)=C(F)F)C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one?
The InChIKey is HFITUWOKLHTGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F10O/c8-1(3(10)11)6(14,15)5(18)7(16,17)2(9)4(12)13.
What are the key properties of 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one?
1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one has a molecular weight of 290.06 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,5,5,6,7,7-decafluorohepta-1,6-dien-4-one is sourced from PubChem (CID 88654491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).