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

C4H5F2NO2 — CID 11506462

IUPAC4,4-difluoro-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1(F)F
InChIInChI=1S/C4H5F2NO2/c1-7-3(8)9-2-4(7,5)6/h2H2,1H3
InChIKeyFPRBEDQINLEHER-UHFFFAOYSA-N
MW137.09 g/mol
LogP0.66
Rot. Bonds

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

4,4-difluoro-3-methyl-1,3-oxazolidin-2-one (PubChem CID 11506462) has the molecular formula C4H5F2NO2 and a molecular weight of 137.09 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-1,3-oxazolidin-2-one
PubChem CID11506462
Molecular FormulaC4H5F2NO2
Molecular Weight137.09 g/mol
Exact Mass137.03
IUPAC Name4,4-difluoro-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1(F)F
InChIInChI=1S/C4H5F2NO2/c1-7-3(8)9-2-4(7,5)6/h2H2,1H3
InChIKeyFPRBEDQINLEHER-UHFFFAOYSA-N
XLogP0.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.09
LogP ≤ 50.66
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-(2,2,2-Trifluoroethyl)-1,3-oxazolidin-2-one
CID 119097004
3-(2,2-Difluoroethenyl)-1,3-oxazolidin-2-one
CID 119096794
3-(2-Bromo-2,2-difluoroethyl)-1,3-oxazolidin-2-one
CID 135039559
(5S)-5-fluoro-3-methyl-1,3-oxazolidin-2-one
CID 178338345
3-(Trifluoroacetyl)-1,3-oxazolidin-2-one
CID 45080818
4,5-Difluoro-3-methyl-1,3-oxazolidin-2-one
CID 11535571
3-(Trifluoromethyl)-1,3-oxazolidin-2-one
CID 12548143
2,2,2-trifluoroethyl N-(2-methoxyethyl)-N-methylcarbamate
CID 61068007
5-(Difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67253616
4-(Difluoromethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67254993
3-Ethyl-4-fluoro-4-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67255666

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-difluoro-3-methyl-1,3-oxazolidin-2-one (CID 11506462) is 4,4-difluoro-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-difluoro-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-difluoro-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is FPRBEDQINLEHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO2/c1-7-3(8)9-2-4(7,5)6/h2H2,1H3.
What are the key properties of 4,4-difluoro-3-methyl-1,3-oxazolidin-2-one?
4,4-difluoro-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 137.09 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11506462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).