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

C5H5F2NO2 — CID 123238605

IUPAC4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(C)C1(F)F
InChIInChI=1S/C5H5F2NO2/c1-3-5(6,7)8(2)4(9)10-3/h1H2,2H3
InChIKeySFQHKHFZORQTJY-UHFFFAOYSA-N
MW149.10 g/mol
LogP1.17
Rot. Bonds

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

4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one (PubChem CID 123238605) has the molecular formula C5H5F2NO2 and a molecular weight of 149.10 g/mol. Its IUPAC name is 4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one
PubChem CID123238605
Molecular FormulaC5H5F2NO2
Molecular Weight149.10 g/mol
Exact Mass149.03
IUPAC Name4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one
SMILESC=C1OC(=O)N(C)C1(F)F
InChIInChI=1S/C5H5F2NO2/c1-3-5(6,7)8(2)4(9)10-3/h1H2,2H3
InChIKeySFQHKHFZORQTJY-UHFFFAOYSA-N
XLogP1.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.10
LogP ≤ 51.17
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 4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one (CID 123238605) is 4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one is C=C1OC(=O)N(C)C1(F)F.
What is the InChIKey of 4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one?
The InChIKey is SFQHKHFZORQTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO2/c1-3-5(6,7)8(2)4(9)10-3/h1H2,2H3.
What are the key properties of 4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one?
4,4-difluoro-3-methyl-5-methylidene-1,3-oxazolidin-2-one has a molecular weight of 149.10 g/mol, XLogP of 1.17, 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-5-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 123238605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).