2,2-difluoro-3-methyl-1,3-oxazolidine

C4H7F2NO — CID 67205796

IUPAC2,2-difluoro-3-methyl-1,3-oxazolidine
SMILESCN1CCOC1(F)F
InChIInChI=1S/C4H7F2NO/c1-7-2-3-8-4(7,5)6/h2-3H2,1H3
InChIKeyAFBCXOJNHSDDGH-UHFFFAOYSA-N
MW123.10 g/mol
LogP0.50
Rot. Bonds

About 2,2-difluoro-3-methyl-1,3-oxazolidine

2,2-difluoro-3-methyl-1,3-oxazolidine (PubChem CID 67205796) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-1,3-oxazolidine
PubChem CID67205796
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC Name2,2-difluoro-3-methyl-1,3-oxazolidine
SMILESCN1CCOC1(F)F
InChIInChI=1S/C4H7F2NO/c1-7-2-3-8-4(7,5)6/h2-3H2,1H3
InChIKeyAFBCXOJNHSDDGH-UHFFFAOYSA-N
XLogP0.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2,2-difluoro-3-methyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methyl-1,3-oxazolidine?
The IUPAC name of 2,2-difluoro-3-methyl-1,3-oxazolidine (CID 67205796) is 2,2-difluoro-3-methyl-1,3-oxazolidine.
What is the SMILES notation for 2,2-difluoro-3-methyl-1,3-oxazolidine?
The canonical SMILES for 2,2-difluoro-3-methyl-1,3-oxazolidine is CN1CCOC1(F)F.
What is the InChIKey of 2,2-difluoro-3-methyl-1,3-oxazolidine?
The InChIKey is AFBCXOJNHSDDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c1-7-2-3-8-4(7,5)6/h2-3H2,1H3.
What are the key properties of 2,2-difluoro-3-methyl-1,3-oxazolidine?
2,2-difluoro-3-methyl-1,3-oxazolidine has a molecular weight of 123.10 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-1,3-oxazolidine is sourced from PubChem (CID 67205796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).