4-fluoro-3-methyl-1,3-oxazolidin-2-one

C4H6FNO2 — CID 89449778

IUPAC4-fluoro-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1F
InChIInChI=1S/C4H6FNO2/c1-6-3(5)2-8-4(6)7/h3H,2H2,1H3
InChIKeyHKKLUYVGGUNIEI-UHFFFAOYSA-N
MW119.09 g/mol
LogP0.36
Rot. Bonds

About 4-fluoro-3-methyl-1,3-oxazolidin-2-one

4-fluoro-3-methyl-1,3-oxazolidin-2-one (PubChem CID 89449778) has the molecular formula C4H6FNO2 and a molecular weight of 119.09 g/mol. Its IUPAC name is 4-fluoro-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-fluoro-3-methyl-1,3-oxazolidin-2-one
PubChem CID89449778
Molecular FormulaC4H6FNO2
Molecular Weight119.09 g/mol
Exact Mass119.04
IUPAC Name4-fluoro-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1F
InChIInChI=1S/C4H6FNO2/c1-6-3(5)2-8-4(6)7/h3H,2H2,1H3
InChIKeyHKKLUYVGGUNIEI-UHFFFAOYSA-N
XLogP0.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.09
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Oxazolidinone, 3-methyl-
CID 29831
3-Ethyl-1,3-oxazolidin-2-one
CID 350825
3-Acetyl-2-oxazolidinone
CID 538766
Fluoro oxazolidinone
CID 21462635
3-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
Ethynyloxazolidinone
CID 12024497
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
3-Propyl-1,3-oxazolidin-2-one
CID 12238104
Chloromethyl oxazolidinone
CID 18802127
N-formyl-oxazolidinone
CID 19736925
Hydroxymethyl oxazolidinone
CID 21585222
3-(4-Cyano)oxazolidin-2-one
CID 118487455

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-fluoro-3-methyl-1,3-oxazolidin-2-one (CID 89449778) is 4-fluoro-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-fluoro-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-fluoro-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1F.
What is the InChIKey of 4-fluoro-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is HKKLUYVGGUNIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO2/c1-6-3(5)2-8-4(6)7/h3H,2H2,1H3.
What are the key properties of 4-fluoro-3-methyl-1,3-oxazolidin-2-one?
4-fluoro-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 119.09 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89449778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).