1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene

C9H10BrFO2S — CID 142560015

IUPAC1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
SMILESCOCOc1c(F)cc(SC)cc1Br
InChIInChI=1S/C9H10BrFO2S/c1-12-5-13-9-7(10)3-6(14-2)4-8(9)11/h3-4H,5H2,1-2H3
InChIKeyQJYKNIZIWZNEBA-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.29
Rot. Bonds4

About 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene

1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene (PubChem CID 142560015) has the molecular formula C9H10BrFO2S and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
PubChem CID142560015
Molecular FormulaC9H10BrFO2S
Molecular Weight281.15 g/mol
Exact Mass279.96
IUPAC Name1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
SMILESCOCOc1c(F)cc(SC)cc1Br
InChIInChI=1S/C9H10BrFO2S/c1-12-5-13-9-7(10)3-6(14-2)4-8(9)11/h3-4H,5H2,1-2H3
InChIKeyQJYKNIZIWZNEBA-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene 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

3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412
2-fluoro-1-(methoxymethoxy)-4-methylsulfanylbenzene
CID 22031808
1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
CID 10798945
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
1-bromo-5-fluoro-2-(methoxymethoxy)-3-(trifluoromethyl)benzene
CID 171368249
1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene
CID 164892587
3-bromo-5-fluoro-4-(3-methoxypropoxy)aniline
CID 138985881
1-bromo-3-fluoro-2-(methoxymethoxy)-4-methylbenzene
CID 130714606
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
[2-bromo-5-fluoro-4-(methoxymethoxy)phenyl]methanol
CID 167103502
1,3-difluoro-2-(3-methylbutoxy)-5-methylsulfanylbenzene
CID 91655653

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene?
The IUPAC name of 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene (CID 142560015) is 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene.
What is the SMILES notation for 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene?
The canonical SMILES for 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene is COCOc1c(F)cc(SC)cc1Br.
What is the InChIKey of 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene?
The InChIKey is QJYKNIZIWZNEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2S/c1-12-5-13-9-7(10)3-6(14-2)4-8(9)11/h3-4H,5H2,1-2H3.
What are the key properties of 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene?
1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene has a molecular weight of 281.15 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene is sourced from PubChem (CID 142560015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).