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

C8H7BrF2OS — CID 119015899

IUPAC1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
SMILESCSc1cc(OC(F)F)ccc1Br
InChIInChI=1S/C8H7BrF2OS/c1-13-7-4-5(12-8(10)11)2-3-6(7)9/h2-4,8H,1H3
InChIKeyYGSCOUWTOPCLHR-UHFFFAOYSA-N
MW269.11 g/mol
LogP3.77
Rot. Bonds3

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

1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene (PubChem CID 119015899) has the molecular formula C8H7BrF2OS and a molecular weight of 269.11 g/mol. Its IUPAC name is 1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
PubChem CID119015899
Molecular FormulaC8H7BrF2OS
Molecular Weight269.11 g/mol
Exact Mass267.94
IUPAC Name1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
SMILESCSc1cc(OC(F)F)ccc1Br
InChIInChI=1S/C8H7BrF2OS/c1-13-7-4-5(12-8(10)11)2-3-6(7)9/h2-4,8H,1H3
InChIKeyYGSCOUWTOPCLHR-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 1-bromo-4-(difluoromethoxy)-2-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

2-bromo-5-(difluoromethoxy)benzenethiol
CID 119002575
1-bromo-1-[4-(difluoromethoxy)-2-methylsulfanylphenyl]propan-2-one
CID 134615938
1-(3-chloropropyl)-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 118848020
1-bromo-1-[5-(difluoromethoxy)-2-methylsulfanylphenyl]propan-2-one
CID 134616010
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
1-bromo-3-(difluoromethoxy)-5-methylsulfanylbenzene
CID 121227926
1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119024321
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
1-bromo-7-(difluoromethoxy)naphthalene
CID 133084223
4-bromo-3-methylsulfanylbenzoic acid
CID 86047371

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene?
The IUPAC name of 1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene (CID 119015899) is 1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene.
What is the SMILES notation for 1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene?
The canonical SMILES for 1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene is CSc1cc(OC(F)F)ccc1Br.
What is the InChIKey of 1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene?
The InChIKey is YGSCOUWTOPCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2OS/c1-13-7-4-5(12-8(10)11)2-3-6(7)9/h2-4,8H,1H3.
What are the key properties of 1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene?
1-bromo-4-(difluoromethoxy)-2-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 1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene is sourced from PubChem (CID 119015899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).