4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride

C5H5F2NO3 — CID 143251746

IUPAC4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride
SMILESO=C1OCN(C(=O)F)C1CF
InChIInChI=1S/C5H5F2NO3/c6-1-3-4(9)11-2-8(3)5(7)10/h3H,1-2H2
InChIKeyGIMYVEQTMSANJL-UHFFFAOYSA-N
MW165.09 g/mol
LogP0.23
Rot. Bonds1

About 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride

4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride (PubChem CID 143251746) has the molecular formula C5H5F2NO3 and a molecular weight of 165.09 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride.

Molecular Properties

Compound Name4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride
PubChem CID143251746
Molecular FormulaC5H5F2NO3
Molecular Weight165.09 g/mol
Exact Mass165.02
IUPAC Name4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride
SMILESO=C1OCN(C(=O)F)C1CF
InChIInChI=1S/C5H5F2NO3/c6-1-3-4(9)11-2-8(3)5(7)10/h3H,1-2H2
InChIKeyGIMYVEQTMSANJL-UHFFFAOYSA-N
XLogP0.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.09
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride?
The IUPAC name of 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride (CID 143251746) is 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride.
What is the SMILES notation for 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride?
The canonical SMILES for 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride is O=C1OCN(C(=O)F)C1CF.
What is the InChIKey of 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride?
The InChIKey is GIMYVEQTMSANJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO3/c6-1-3-4(9)11-2-8(3)5(7)10/h3H,1-2H2.
What are the key properties of 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride?
4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride has a molecular weight of 165.09 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-oxo-1,3-oxazolidine-3-carbonyl fluoride is sourced from PubChem (CID 143251746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).