4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene

C8H7BrF2OS — CID 18711474

IUPAC4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene
SMILESCSc1ccc(Br)cc1OC(F)F
InChIInChI=1S/C8H7BrF2OS/c1-13-7-3-2-5(9)4-6(7)12-8(10)11/h2-4,8H,1H3
InChIKeyARKTVDGUYBALKT-UHFFFAOYSA-N
MW269.11 g/mol
LogP3.77
Rot. Bonds3

About 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene

4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene (PubChem CID 18711474) has the molecular formula C8H7BrF2OS and a molecular weight of 269.11 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene.

Molecular Properties

Compound Name4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene
PubChem CID18711474
Molecular FormulaC8H7BrF2OS
Molecular Weight269.11 g/mol
Exact Mass267.94
IUPAC Name4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene
SMILESCSc1ccc(Br)cc1OC(F)F
InChIInChI=1S/C8H7BrF2OS/c1-13-7-3-2-5(9)4-6(7)12-8(10)11/h2-4,8H,1H3
InChIKeyARKTVDGUYBALKT-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.11
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-(difluoromethoxy)-1-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

4-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl Chloride
CID 2736421
Difluoromethyl 2-methoxyphenyl sulphide
CID 102369524
4-Bromo-2-(trifluoromethoxy)thiophenol
CID 2736425
2-Methoxyphenyl trifluoromethyl sulfide
CID 10176652
1-methoxy-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]sulfanylbenzene
CID 131863493
2-Bromo-4-trifluoromethoxythioanisole
CID 26986226
1-(Methylthio)-2-(trifluoromethoxy)benzene
CID 2781567
1-{[Bromo(difluoro)methyl]sulfanyl}-2-methoxybenzene
CID 13064346
4-Bromo-2-(trifluoromethoxy)thioanisole
CID 18711473
4-Bromo-1-methanesulfonyl-2-(trifluoromethoxy)benzene
CID 53418035
1,5-Dibromo-2-methoxy-3-(trifluoromethylsulfanyl)benzene
CID 57733491
1-Bromo-3-(trifluoromethoxy)-5-(trifluoromethylsulfanyl)benzene
CID 57733494

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene?
The IUPAC name of 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene (CID 18711474) is 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene.
What is the SMILES notation for 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene?
The canonical SMILES for 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene is CSc1ccc(Br)cc1OC(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene?
The InChIKey is ARKTVDGUYBALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2OS/c1-13-7-3-2-5(9)4-6(7)12-8(10)11/h2-4,8H,1H3.
What are the key properties of 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene?
4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene has a molecular weight of 269.11 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethoxy)-1-methylsulfanylbenzene is sourced from PubChem (CID 18711474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).