5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one

C11H12ClF2NO2S — CID 106046328

IUPAC5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNCCc2ccc(Cl)s2)CC1(F)F
InChIInChI=1S/C11H12ClF2NO2S/c12-9-2-1-8(18-9)3-4-15-6-7-5-11(13,14)10(16)17-7/h1-2,7,15H,3-6H2
InChIKeyBWEWXVIJUAMADO-UHFFFAOYSA-N
MW295.74 g/mol
LogP2.48
Rot. Bonds5

About 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one

5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one (PubChem CID 106046328) has the molecular formula C11H12ClF2NO2S and a molecular weight of 295.74 g/mol. Its IUPAC name is 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one.

Molecular Properties

Compound Name5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one
PubChem CID106046328
Molecular FormulaC11H12ClF2NO2S
Molecular Weight295.74 g/mol
Exact Mass295.02
IUPAC Name5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one
SMILESO=C1OC(CNCCc2ccc(Cl)s2)CC1(F)F
InChIInChI=1S/C11H12ClF2NO2S/c12-9-2-1-8(18-9)3-4-15-6-7-5-11(13,14)10(16)17-7/h1-2,7,15H,3-6H2
InChIKeyBWEWXVIJUAMADO-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-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

5-[[2-(3,5-difluorophenyl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106492587
5-[(2-aminoethylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492558
5-[(but-3-enylamino)methyl]-3,3-difluorooxolan-2-one
CID 106492899
3,3-difluoro-5-[[(4-hydroxyphenyl)methylamino]methyl]oxolan-2-one
CID 106492962
2-(5-chlorothiophen-2-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 106046675
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 115244292
2-(5-chlorothiophen-2-yl)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 114139953
2-(5-chlorothiophen-2-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 106046270
2-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 113223446
3,3-difluoro-5-[(2,2,2-trifluoroethoxyamino)methyl]oxolan-2-one
CID 106492828
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 106046261

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one?
The IUPAC name of 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one (CID 106046328) is 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one.
What is the SMILES notation for 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one?
The canonical SMILES for 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one is O=C1OC(CNCCc2ccc(Cl)s2)CC1(F)F.
What is the InChIKey of 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one?
The InChIKey is BWEWXVIJUAMADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2S/c12-9-2-1-8(18-9)3-4-15-6-7-5-11(13,14)10(16)17-7/h1-2,7,15H,3-6H2.
What are the key properties of 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one?
5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one has a molecular weight of 295.74 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one is sourced from PubChem (CID 106046328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).