4,5,5-trifluoropent-4-en-2-one

C5H5F3O — CID 58818971

IUPAC4,5,5-trifluoropent-4-en-2-one
SMILESCC(=O)CC(F)=C(F)F
InChIInChI=1S/C5H5F3O/c1-3(9)2-4(6)5(7)8/h2H2,1H3
InChIKeyAPEKXIVAKCOTSA-UHFFFAOYSA-N
MW138.09 g/mol
LogP2.04
Rot. Bonds2

About 4,5,5-trifluoropent-4-en-2-one

4,5,5-trifluoropent-4-en-2-one (PubChem CID 58818971) has the molecular formula C5H5F3O and a molecular weight of 138.09 g/mol. Its IUPAC name is 4,5,5-trifluoropent-4-en-2-one.

Molecular Properties

Compound Name4,5,5-trifluoropent-4-en-2-one
PubChem CID58818971
Molecular FormulaC5H5F3O
Molecular Weight138.09 g/mol
Exact Mass138.03
IUPAC Name4,5,5-trifluoropent-4-en-2-one
SMILESCC(=O)CC(F)=C(F)F
InChIInChI=1S/C5H5F3O/c1-3(9)2-4(6)5(7)8/h2H2,1H3
InChIKeyAPEKXIVAKCOTSA-UHFFFAOYSA-N
XLogP2.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,2-Trifluoropent-1-en-3-one
CID 13697368
1,1,2-Trifluorohex-1-en-3-one
CID 13697369
1,1,2-Trifluoro-4-methylpent-1-en-3-one
CID 13697370
5,6,6-Trifluorohex-5-en-2-one
CID 10964690
2,3,3,5,5,6-Hexafluorohepta-1,6-dien-4-one
CID 87181987
3,5,5-Trifluoropent-4-en-2-one
CID 87494793
4,4-Difluoro-3-methylbut-3-en-2-one
CID 88853535
1,4,4-Trifluoro-3-methylbut-3-en-2-one
CID 90021478
3,3-Difluoropent-4-en-2-one
CID 123479291
5,5-Difluoropent-4-en-2-one
CID 139408677
1,1,2,3,3-Pentafluorobut-1-ene;propan-2-one
CID 140511268
2,5,5-Trifluoropent-1-en-3-one
CID 142719100

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trifluoropent-4-en-2-one?
The IUPAC name of 4,5,5-trifluoropent-4-en-2-one (CID 58818971) is 4,5,5-trifluoropent-4-en-2-one.
What is the SMILES notation for 4,5,5-trifluoropent-4-en-2-one?
The canonical SMILES for 4,5,5-trifluoropent-4-en-2-one is CC(=O)CC(F)=C(F)F.
What is the InChIKey of 4,5,5-trifluoropent-4-en-2-one?
The InChIKey is APEKXIVAKCOTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O/c1-3(9)2-4(6)5(7)8/h2H2,1H3.
What are the key properties of 4,5,5-trifluoropent-4-en-2-one?
4,5,5-trifluoropent-4-en-2-one has a molecular weight of 138.09 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoropent-4-en-2-one is sourced from PubChem (CID 58818971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).