4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione

C10H6BrF2NO2S — CID 107612783

IUPAC4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1c1cc(F)c(Br)cc1F
InChIInChI=1S/C10H6BrF2NO2S/c11-5-1-7(13)8(2-6(5)12)14-9(15)3-17-4-10(14)16/h1-2H,3-4H2
InChIKeyDUVFFPZCVINVIS-UHFFFAOYSA-N
MW322.13 g/mol
LogP2.33
Rot. Bonds1

About 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione

4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione (PubChem CID 107612783) has the molecular formula C10H6BrF2NO2S and a molecular weight of 322.13 g/mol. Its IUPAC name is 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione
PubChem CID107612783
Molecular FormulaC10H6BrF2NO2S
Molecular Weight322.13 g/mol
Exact Mass320.93
IUPAC Name4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione
SMILESO=C1CSCC(=O)N1c1cc(F)c(Br)cc1F
InChIInChI=1S/C10H6BrF2NO2S/c11-5-1-7(13)8(2-6(5)12)14-9(15)3-17-4-10(14)16/h1-2H,3-4H2
InChIKeyDUVFFPZCVINVIS-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.13
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-difluorophenyl)thiomorpholine-3,5-dione
CID 2732309
2-(4-bromo-2,5-difluorophenyl)-4H-isoquinoline-1,3-dione
CID 107612785
1-(4-bromo-2,5-difluorophenyl)-3-(4-chlorophenyl)sulfanylpyrrolidine-2,5-dione
CID 2809197
1-(4-bromo-2,5-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671293
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697577
4-(4-bromo-3-methylphenyl)thiomorpholine-3,5-dione
CID 112683688
4-(4-bromo-2,5-difluorophenyl)piperazine-1-carboxylic acid
CID 130302995
1-(4-bromo-2,5-difluorophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 107608195
8-(5-bromo-4-fluoro-2-methylphenyl)-8-azaspiro[4.5]decane-7,9-dione
CID 107592731
1-(4-bromo-2,5-difluorophenyl)piperidin-4-amine
CID 107613029
1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107608492
1-(4-bromo-2,5-difluorophenyl)-3-ethylazetidine
CID 107612888

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione (CID 107612783) is 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione is O=C1CSCC(=O)N1c1cc(F)c(Br)cc1F.
What is the InChIKey of 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione?
The InChIKey is DUVFFPZCVINVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2NO2S/c11-5-1-7(13)8(2-6(5)12)14-9(15)3-17-4-10(14)16/h1-2H,3-4H2.
What are the key properties of 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione?
4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione has a molecular weight of 322.13 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,5-difluorophenyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 107612783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).