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

Related Compounds

2,3-dimethyl-1,3-oxazolidin-2-amine
CID 67867295
8-methyl-5-oxa-8-azaspiro[3.4]octane
CID 123313806
ethane;5-methyl-1-oxa-5-azaspiro[3.3]heptane
CID 144685724
2,2-difluoro-7-methyl-4-oxa-7-azaspiro[2.5]octane
CID 176682809
4,7-dimethyl-1-oxa-4,7-diazaspiro[2.4]heptane
CID 163932008
(2R)-2-(4-bromophenyl)-2,3-dimethyl-1,3-oxazolidine
CID 94035077
3-(2,2-dimethylmorpholin-4-yl)propan-1-ol;ethane
CID 162683965
2-(bromomethyl)-2-fluorooxetane
CID 22160837
2,2-difluoro-1,3,3-trimethylpyrrolidine
CID 10329427
2-methyloxazetidine
CID 20726192
9-fluoro-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 166686001
8-methyl-5-oxa-2λ4-thia-8-azaspiro[3.5]nonane 2-oxide
CID 155010335

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).