1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one

C5F8O — CID 87857111

IUPAC1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one
SMILESO=C(C(F)=C(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F8O/c6-1(3(7)8)2(14)4(9,10)5(11,12)13
InChIKeyLUYDOPFZXFXUOO-UHFFFAOYSA-N
MW228.04 g/mol
LogP2.83
Rot. Bonds2

About 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one

1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one (PubChem CID 87857111) has the molecular formula C5F8O and a molecular weight of 228.04 g/mol. Its IUPAC name is 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one.

Molecular Properties

Compound Name1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one
PubChem CID87857111
Molecular FormulaC5F8O
Molecular Weight228.04 g/mol
Exact Mass227.98
IUPAC Name1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one
SMILESO=C(C(F)=C(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F8O/c6-1(3(7)8)2(14)4(9,10)5(11,12)13
InChIKeyLUYDOPFZXFXUOO-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5,5-Pentafluoro-2-(trifluoromethyl)pent-1-ene-1,3-dione
CID 12656416
Perfluorovinyl ketone
CID 87774558
2,4,4,4-Tetrafluorobut-1-ene-1,3-dione
CID 101632505
Perfluoro-4-hepten-3-one
CID 129814803
Perfluoro-penten-3-en-2-one
CID 129816729
1,1,4,4,5,5,5-Heptafluoro-2-(trifluoromethyl)pent-1-en-3-one
CID 12656409
2,3,3,5,5,6,6,6-Octafluorohex-1-ene-1,4-dione
CID 21492514
(E)-1,1,1,2,2,4,5,6,6,6-decafluorohex-4-en-3-one
CID 87773946
1,1,2,3,3,5,5,6,7,7-Decafluorohepta-1,6-dien-4-one
CID 88654491
2,4,4,5,5,6,6,6-Octafluorohex-1-ene-1,3-dione
CID 88838648
1,1,1,2,2,4,5,6,6,6-Decafluorohex-4-en-3-one
CID 91364157
1,1,1,3,4,4-Hexafluorobut-3-en-2-one
CID 130027398

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one?
The IUPAC name of 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one (CID 87857111) is 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one.
What is the SMILES notation for 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one?
The canonical SMILES for 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one is O=C(C(F)=C(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one?
The InChIKey is LUYDOPFZXFXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F8O/c6-1(3(7)8)2(14)4(9,10)5(11,12)13.
What are the key properties of 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one?
1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one has a molecular weight of 228.04 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4,5,5,5-octafluoropent-1-en-3-one is sourced from PubChem (CID 87857111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).