3,3,3-trifluoro-2-oxopropanoyl fluoride

C3F4O2 — CID 2782444

IUPAC3,3,3-trifluoro-2-oxopropanoyl fluoride
SMILESO=C(F)C(=O)C(F)(F)F
InChIInChI=1S/C3F4O2/c4-2(9)1(8)3(5,6)7
InChIKeyNSODUNDFRPXDAR-UHFFFAOYSA-N
MW144.02 g/mol
LogP0.61
Rot. Bonds1

About 3,3,3-trifluoro-2-oxopropanoyl fluoride

3,3,3-trifluoro-2-oxopropanoyl fluoride (PubChem CID 2782444) has the molecular formula C3F4O2 and a molecular weight of 144.02 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-oxopropanoyl fluoride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-oxopropanoyl fluoride
PubChem CID2782444
Molecular FormulaC3F4O2
Molecular Weight144.02 g/mol
Exact Mass143.98
IUPAC Name3,3,3-trifluoro-2-oxopropanoyl fluoride
SMILESO=C(F)C(=O)C(F)(F)F
InChIInChI=1S/C3F4O2/c4-2(9)1(8)3(5,6)7
InChIKeyNSODUNDFRPXDAR-UHFFFAOYSA-N
XLogP0.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.02
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-oxopropanoyl fluoride 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

1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-2,3-dione
CID 12567521
2,3,4,4,4-pentafluorobut-2-enoyl fluoride
CID 56616354
1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one
CID 91153512
fluoro 3,3,3-trifluoro-2-oxopropanoate
CID 87371740
4,4,4-trifluoro-2,3-dioxobutanal
CID 167993212
1,1,1-trifluoro-3-methylbut-3-en-2-one
CID 15366138
1,1,1-trifluoro-3-hydroxy-4-methylpent-3-en-2-one
CID 163474865
1,1,1-trifluoropent-4-ene-2,3-dione
CID 152536588
tris((E)-1,1,1,3,5,5-hexafluoro-4-hydroxypent-3-en-2-one);neodymium
CID 165402745
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-methylpent-3-en-2-one
CID 134899533
4,4,4-trifluoro-2-methylidene-3-oxobutanoate
CID 150725472
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-oxopropanoyl fluoride?
The IUPAC name of 3,3,3-trifluoro-2-oxopropanoyl fluoride (CID 2782444) is 3,3,3-trifluoro-2-oxopropanoyl fluoride.
What is the SMILES notation for 3,3,3-trifluoro-2-oxopropanoyl fluoride?
The canonical SMILES for 3,3,3-trifluoro-2-oxopropanoyl fluoride is O=C(F)C(=O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-oxopropanoyl fluoride?
The InChIKey is NSODUNDFRPXDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F4O2/c4-2(9)1(8)3(5,6)7.
What are the key properties of 3,3,3-trifluoro-2-oxopropanoyl fluoride?
3,3,3-trifluoro-2-oxopropanoyl fluoride has a molecular weight of 144.02 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-oxopropanoyl fluoride is sourced from PubChem (CID 2782444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).