1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene

C12H6BrClF2S — CID 68683597

IUPAC1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene
SMILESFc1ccc(Sc2ccc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C12H6BrClF2S/c13-9-5-7(15)1-3-11(9)17-12-4-2-8(16)6-10(12)14/h1-6H
InChIKeyCCSHHLQVJHVZIE-UHFFFAOYSA-N
MW335.60 g/mol
LogP5.53
Rot. Bonds2

About 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene

1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene (PubChem CID 68683597) has the molecular formula C12H6BrClF2S and a molecular weight of 335.60 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene
PubChem CID68683597
Molecular FormulaC12H6BrClF2S
Molecular Weight335.60 g/mol
Exact Mass333.90
IUPAC Name1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene
SMILESFc1ccc(Sc2ccc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C12H6BrClF2S/c13-9-5-7(15)1-3-11(9)17-12-4-2-8(16)6-10(12)14/h1-6H
InChIKeyCCSHHLQVJHVZIE-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.60
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene (CID 68683597) is 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene is Fc1ccc(Sc2ccc(F)cc2Br)c(Cl)c1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene?
The InChIKey is CCSHHLQVJHVZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF2S/c13-9-5-7(15)1-3-11(9)17-12-4-2-8(16)6-10(12)14/h1-6H.
What are the key properties of 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene?
1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene has a molecular weight of 335.60 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)sulfanyl-2-chloro-4-fluorobenzene is sourced from PubChem (CID 68683597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).