3-(fluoromethyl)-1,3-oxazolidin-2-one

C4H6FNO2 — CID 67519298

IUPAC3-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CF
InChIInChI=1S/C4H6FNO2/c5-3-6-1-2-8-4(6)7/h1-3H2
InChIKeyQJILKXZHPKSBBG-UHFFFAOYSA-N
MW119.09 g/mol
LogP0.37
Rot. Bonds1

About 3-(fluoromethyl)-1,3-oxazolidin-2-one

3-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 67519298) has the molecular formula C4H6FNO2 and a molecular weight of 119.09 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID67519298
Molecular FormulaC4H6FNO2
Molecular Weight119.09 g/mol
Exact Mass119.04
IUPAC Name3-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CF
InChIInChI=1S/C4H6FNO2/c5-3-6-1-2-8-4(6)7/h1-3H2
InChIKeyQJILKXZHPKSBBG-UHFFFAOYSA-N
XLogP0.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.09
LogP ≤ 50.37
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
2-Oxo-3-oxazolidinecarbonyl chloride
CID 20544459
Fluoro oxazolidinone
CID 21462635
3-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
Ethynyloxazolidinone
CID 12024497
3-(2,2-Difluoroethenyl)-1,3-oxazolidin-2-one
CID 119096794
3-(2-Bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one
CID 135039559
Iodooxazolidinone
CID 17894312
2-Oxo-1,3-oxazolidine-3-carboxylic acid
CID 18353396
Chloromethyl oxazolidinone
CID 18802127
N-formyl-oxazolidinone
CID 19736925

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(fluoromethyl)-1,3-oxazolidin-2-one (CID 67519298) is 3-(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(fluoromethyl)-1,3-oxazolidin-2-one is O=C1OCCN1CF.
What is the InChIKey of 3-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is QJILKXZHPKSBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO2/c5-3-6-1-2-8-4(6)7/h1-3H2.
What are the key properties of 3-(fluoromethyl)-1,3-oxazolidin-2-one?
3-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 119.09 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67519298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).