fluoro 3,3,3-trifluoro-2-oxopropanoate

C3F4O3 — CID 87371740

IUPACfluoro 3,3,3-trifluoro-2-oxopropanoate
SMILESO=C(OF)C(=O)C(F)(F)F
InChIInChI=1S/C3F4O3/c4-3(5,6)1(8)2(9)10-7
InChIKeyWCQUJUBSMPDIBX-UHFFFAOYSA-N
MW160.02 g/mol
LogP0.55
Rot. Bonds1

About fluoro 3,3,3-trifluoro-2-oxopropanoate

fluoro 3,3,3-trifluoro-2-oxopropanoate (PubChem CID 87371740) has the molecular formula C3F4O3 and a molecular weight of 160.02 g/mol. Its IUPAC name is fluoro 3,3,3-trifluoro-2-oxopropanoate.

Molecular Properties

Compound Namefluoro 3,3,3-trifluoro-2-oxopropanoate
PubChem CID87371740
Molecular FormulaC3F4O3
Molecular Weight160.02 g/mol
Exact Mass159.98
IUPAC Namefluoro 3,3,3-trifluoro-2-oxopropanoate
SMILESO=C(OF)C(=O)C(F)(F)F
InChIInChI=1S/C3F4O3/c4-3(5,6)1(8)2(9)10-7
InChIKeyWCQUJUBSMPDIBX-UHFFFAOYSA-N
XLogP0.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.02
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-2-oxopropanoyl fluoride
CID 2782444
copper;fluoro 4,4,5,5,5-pentafluoro-3-oxo-2-propan-2-ylidenepentanoate
CID 174742988
cerium;1,1,1,3,3,3-hexafluoropropan-2-one
CID 90019366
tris(1,1,1,3,3,3-hexafluoropropan-2-one);iron
CID 159237842
CID 87074036
CID 87074036
copper;fluoro 2,2,4,4,4-pentafluoro-3-oxobutanoate
CID 87233917
1,1,1,4,5,5,5-heptafluoro-4-(trifluoromethyl)pentane-2,3-dione
CID 12567521
2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
CID 150240323
1,1,1-trifluoro-3-methylbut-3-en-2-one
CID 15366138
4,4,4-trifluoro-2,3-dioxobutanal
CID 167993212
bis(trifluoromethyl) oxalate
CID 71350742
1,1,1,3,3,3-hexafluoropropan-2-one;sulfur trioxide
CID 174432206

Frequently Asked Questions

What is the IUPAC name of fluoro 3,3,3-trifluoro-2-oxopropanoate?
The IUPAC name of fluoro 3,3,3-trifluoro-2-oxopropanoate (CID 87371740) is fluoro 3,3,3-trifluoro-2-oxopropanoate.
What is the SMILES notation for fluoro 3,3,3-trifluoro-2-oxopropanoate?
The canonical SMILES for fluoro 3,3,3-trifluoro-2-oxopropanoate is O=C(OF)C(=O)C(F)(F)F.
What is the InChIKey of fluoro 3,3,3-trifluoro-2-oxopropanoate?
The InChIKey is WCQUJUBSMPDIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F4O3/c4-3(5,6)1(8)2(9)10-7.
What are the key properties of fluoro 3,3,3-trifluoro-2-oxopropanoate?
fluoro 3,3,3-trifluoro-2-oxopropanoate has a molecular weight of 160.02 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3,3,3-trifluoro-2-oxopropanoate is sourced from PubChem (CID 87371740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).