4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one

C5H6FNO2 — CID 123807595

IUPAC4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(C)C1F
InChIInChI=1S/C5H6FNO2/c1-3-4(6)7(2)5(8)9-3/h4H,1H2,2H3
InChIKeyBRPLLRQXYRIMDD-UHFFFAOYSA-N
MW131.11 g/mol
LogP0.88
Rot. Bonds

About 4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one

4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one (PubChem CID 123807595) has the molecular formula C5H6FNO2 and a molecular weight of 131.11 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one
PubChem CID123807595
Molecular FormulaC5H6FNO2
Molecular Weight131.11 g/mol
Exact Mass131.04
IUPAC Name4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(C)C1F
InChIInChI=1S/C5H6FNO2/c1-3-4(6)7(2)5(8)9-3/h4H,1H2,2H3
InChIKeyBRPLLRQXYRIMDD-UHFFFAOYSA-N
XLogP0.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 50.88
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-5-methylene-
CID 10103138
3-Butyl-5-methyleneoxazolidin-2-one
CID 10702044
5-Methylene-3-propyl-oxazolidin-2-one
CID 13925891
4,4-Difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one
CID 123238605
3-Fluoro-5-methylidene-1,3-oxazolidin-2-one
CID 123400980
4-Fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one
CID 123879127
2-Oxazolidinone, 5-ethylidene-3-methyl-
CID 85997649
(5Z)-3-ethyl-5-ethylidene-1,3-oxazolidin-2-one
CID 102228197
(5E)-5-ethylidene-3-methyl-1,3-oxazolidin-2-one
CID 139241459
5-Methylidene-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 11658305
2-Oxazolidinone, 3,4-dimethyl-5-methylene-
CID 45087299
5-Methylidene-3-(prop-2-yn-1-yl)-1,3-oxazolidin-2-one
CID 71427230

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one (CID 123807595) is 4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one is C=C1OC(=O)N(C)C1F.
What is the InChIKey of 4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one?
The InChIKey is BRPLLRQXYRIMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO2/c1-3-4(6)7(2)5(8)9-3/h4H,1H2,2H3.
What are the key properties of 4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one?
4-fluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one has a molecular weight of 131.11 g/mol, XLogP of 0.88, 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-5-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 123807595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).