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

C6H8FNO2 — CID 123879127

IUPAC4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(C)C1(C)F
InChIInChI=1S/C6H8FNO2/c1-4-6(2,7)8(3)5(9)10-4/h1H2,2-3H3
InChIKeyBFFUCFUFTVWJCQ-UHFFFAOYSA-N
MW145.13 g/mol
LogP1.27
Rot. Bonds

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

4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one (PubChem CID 123879127) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is 4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one
PubChem CID123879127
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(C)C1(C)F
InChIInChI=1S/C6H8FNO2/c1-4-6(2,7)8(3)5(9)10-4/h1H2,2-3H3
InChIKeyBFFUCFUFTVWJCQ-UHFFFAOYSA-N
XLogP1.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one (CID 123879127) is 4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one is C=C1OC(=O)N(C)C1(C)F.
What is the InChIKey of 4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one?
The InChIKey is BFFUCFUFTVWJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO2/c1-4-6(2,7)8(3)5(9)10-4/h1H2,2-3H3.
What are the key properties of 4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one?
4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one has a molecular weight of 145.13 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,4-dimethyl-5-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 123879127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).