4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one

C12H21F2NO2 — CID 166662049

IUPAC4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCN1C(=O)OCC1C(F)F
InChIInChI=1S/C12H21F2NO2/c1-2-3-4-5-6-7-8-15-10(11(13)14)9-17-12(15)16/h10-11H,2-9H2,1H3
InChIKeyRDMQPZBVJDHJOR-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.43
Rot. Bonds8

About 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one

4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one (PubChem CID 166662049) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one
PubChem CID166662049
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCN1C(=O)OCC1C(F)F
InChIInChI=1S/C12H21F2NO2/c1-2-3-4-5-6-7-8-15-10(11(13)14)9-17-12(15)16/h10-11H,2-9H2,1H3
InChIKeyRDMQPZBVJDHJOR-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one 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

3-Octyl-1,3-oxazolidin-2-one
CID 3565999
3-Decyl-1,3-oxazolidin-2-one
CID 12292567
3-Cyclohexyl-4-methyl-1,3-oxazolidin-2-one
CID 118062849
2,2,2-trifluoroethyl (2R)-2-[2-(dimethylamino)ethyl]pyrrolidine-1-carboxylate
CID 164640975
Ethyl 2-oxo-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1,3-oxazolidine-3-carboxylate
CID 101549381
tert-butyl (4S)-4-(3,3-difluorobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11594503
2,2,2-Trifluoroethyl 2-ethyl-5-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 70823739
2,2-Difluoroethyl 2,5-diethylpyrrolidine-1-carboxylate
CID 89002810
1-(2,5-Diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone
CID 129269390
1-(2,5-Diethylpyrrolidin-1-yl)-2-(trifluoromethoxy)ethanone;ethane
CID 145332292
(4S)-4-propan-2-yl-3-(5,5,5-trifluoropentyl)-1,3-oxazolidin-2-one
CID 150276683
4-(Fluoromethyl)-3-pentan-2-yl-1,3-oxazolidin-2-one
CID 166662060

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one (CID 166662049) is 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one is CCCCCCCCN1C(=O)OCC1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one?
The InChIKey is RDMQPZBVJDHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-2-3-4-5-6-7-8-15-10(11(13)14)9-17-12(15)16/h10-11H,2-9H2,1H3.
What are the key properties of 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one?
4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one has a molecular weight of 249.30 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-octyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 166662049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).