2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone

C12H12BrF2NO2S — CID 129451876

IUPAC2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone
SMILESO=C(N1CCOCC1)C(F)(F)Sc1cccc(Br)c1
InChIInChI=1S/C12H12BrF2NO2S/c13-9-2-1-3-10(8-9)19-12(14,15)11(17)16-4-6-18-7-5-16/h1-3,8H,4-7H2
InChIKeyQADXFXOFGXMKSL-UHFFFAOYSA-N
MW352.20 g/mol
LogP2.99
Rot. Bonds3

About 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone

2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone (PubChem CID 129451876) has the molecular formula C12H12BrF2NO2S and a molecular weight of 352.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone
PubChem CID129451876
Molecular FormulaC12H12BrF2NO2S
Molecular Weight352.20 g/mol
Exact Mass350.97
IUPAC Name2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone
SMILESO=C(N1CCOCC1)C(F)(F)Sc1cccc(Br)c1
InChIInChI=1S/C12H12BrF2NO2S/c13-9-2-1-3-10(8-9)19-12(14,15)11(17)16-4-6-18-7-5-16/h1-3,8H,4-7H2
InChIKeyQADXFXOFGXMKSL-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone 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

2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone
CID 118048826
N-(3-bromophenyl)-N-methylmorpholine-4-carboxamide
CID 66906368
1-bromo-3-methylbenzene;tert-butyl morpholine-4-carboxylate
CID 171499341
2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethanone
CID 66142772
2-(3-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 113430046
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045436
2-[(3-bromophenyl)sulfanylmethyl]-3,3,3-trifluoropropanoic acid
CID 80996615
2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108959884
2-(3-bromophenyl)-2-(1-hydroxycyclohexyl)-1-morpholin-4-ylethanone
CID 68854082
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115889708
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60558311

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone (CID 129451876) is 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone is O=C(N1CCOCC1)C(F)(F)Sc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone?
The InChIKey is QADXFXOFGXMKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2NO2S/c13-9-2-1-3-10(8-9)19-12(14,15)11(17)16-4-6-18-7-5-16/h1-3,8H,4-7H2.
What are the key properties of 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone?
2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone has a molecular weight of 352.20 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-2,2-difluoro-1-morpholin-4-ylethanone is sourced from PubChem (CID 129451876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).