1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one

C5F6O — CID 87774558

IUPAC1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one
SMILESO=C(C(F)=C(F)F)C(F)=C(F)F
InChIInChI=1S/C5F6O/c6-1(4(8)9)3(12)2(7)5(10)11
InChIKeyCRXUDVXAGKUUCR-UHFFFAOYSA-N
MW190.04 g/mol
LogP2.71
Rot. Bonds2

About 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one

1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one (PubChem CID 87774558) has the molecular formula C5F6O and a molecular weight of 190.04 g/mol. Its IUPAC name is 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one.

Molecular Properties

Compound Name1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one
PubChem CID87774558
Molecular FormulaC5F6O
Molecular Weight190.04 g/mol
Exact Mass189.99
IUPAC Name1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one
SMILESO=C(C(F)=C(F)F)C(F)=C(F)F
InChIInChI=1S/C5F6O/c6-1(4(8)9)3(12)2(7)5(10)11
InChIKeyCRXUDVXAGKUUCR-UHFFFAOYSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3,3,4,4,4-Hexafluorobut-1-en-1-one
CID 54034777
2,4,4,4-Tetrafluorobut-1-ene-1,3-dione
CID 101632505
Perfluoro-penten-3-en-2-one
CID 129816729
1,1,2,4,4,5,5,5-Octafluoropent-1-en-3-one
CID 87857111
1,1,1,3,4,4-Hexafluorobut-3-en-2-one
CID 130027398
1,1,1,3,3,3-Hexafluoropropan-2-one;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 141341635
1,1,1,3-Tetrafluoropenta-3,4-dien-2-one
CID 174721081
1,1,1,3,3,4,5,5-Octafluoropent-4-en-2-one
CID 177742754

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one?
The IUPAC name of 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one (CID 87774558) is 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one.
What is the SMILES notation for 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one?
The canonical SMILES for 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one is O=C(C(F)=C(F)F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one?
The InChIKey is CRXUDVXAGKUUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F6O/c6-1(4(8)9)3(12)2(7)5(10)11.
What are the key properties of 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one?
1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one has a molecular weight of 190.04 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,5,5-hexafluoropenta-1,4-dien-3-one is sourced from PubChem (CID 87774558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).