1,1,1-trifluoropent-4-ene-2,3-dione

C5H3F3O2 — CID 152536588

IUPAC1,1,1-trifluoropent-4-ene-2,3-dione
SMILESC=CC(=O)C(=O)C(F)(F)F
InChIInChI=1S/C5H3F3O2/c1-2-3(9)4(10)5(6,7)8/h2H,1H2
InChIKeyYKQYBAUNIBQHQC-UHFFFAOYSA-N
MW152.07 g/mol
LogP0.87
Rot. Bonds2

About 1,1,1-trifluoropent-4-ene-2,3-dione

1,1,1-trifluoropent-4-ene-2,3-dione (PubChem CID 152536588) has the molecular formula C5H3F3O2 and a molecular weight of 152.07 g/mol. Its IUPAC name is 1,1,1-trifluoropent-4-ene-2,3-dione.

Molecular Properties

Compound Name1,1,1-trifluoropent-4-ene-2,3-dione
PubChem CID152536588
Molecular FormulaC5H3F3O2
Molecular Weight152.07 g/mol
Exact Mass152.01
IUPAC Name1,1,1-trifluoropent-4-ene-2,3-dione
SMILESC=CC(=O)C(=O)C(F)(F)F
InChIInChI=1S/C5H3F3O2/c1-2-3(9)4(10)5(6,7)8/h2H,1H2
InChIKeyYKQYBAUNIBQHQC-UHFFFAOYSA-N
XLogP0.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1,1,1-trifluoropent-4-ene-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-2,3-dioxobutanal
CID 167993212
4,4-difluoropent-1-en-3-one
CID 89392918
1,1,1-trifluoro-3-methylbut-3-en-2-one
CID 15366138
4,4-difluorohexa-1,5-dien-3-one
CID 54144679
3,3,3-trifluoro-2-oxopropanoyl fluoride
CID 2782444
(3E)-4-amino-1,1,1-trifluorohexa-3,5-dien-2-one
CID 176670545
(2,2,2-trifluoroacetyl) prop-2-eneperoxoate
CID 140517984
ethane;(3E,4Z)-3-ethylidene-1,1,1-trifluorohepta-4,6-dien-2-one
CID 167454671
5,5,5-trifluoropent-1-en-3-one
CID 12622108
trifluoromethyl prop-2-enoate
CID 10197737
4,4,4-trifluoro-2-methylidene-3-oxobutanoate
CID 150725472
1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-2,3-dione
CID 12567521

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropent-4-ene-2,3-dione?
The IUPAC name of 1,1,1-trifluoropent-4-ene-2,3-dione (CID 152536588) is 1,1,1-trifluoropent-4-ene-2,3-dione.
What is the SMILES notation for 1,1,1-trifluoropent-4-ene-2,3-dione?
The canonical SMILES for 1,1,1-trifluoropent-4-ene-2,3-dione is C=CC(=O)C(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropent-4-ene-2,3-dione?
The InChIKey is YKQYBAUNIBQHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3O2/c1-2-3(9)4(10)5(6,7)8/h2H,1H2.
What are the key properties of 1,1,1-trifluoropent-4-ene-2,3-dione?
1,1,1-trifluoropent-4-ene-2,3-dione has a molecular weight of 152.07 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropent-4-ene-2,3-dione is sourced from PubChem (CID 152536588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).