1,2-dichloro-4-(trifluoromethylsulfanyl)benzene

C7H3Cl2F3S — CID 74765498

IUPAC1,2-dichloro-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H3Cl2F3S/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChIKeyNWCWECNQCYHESP-UHFFFAOYSA-N
MW247.07 g/mol
LogP4.61
Rot. Bonds1

About 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene

1,2-dichloro-4-(trifluoromethylsulfanyl)benzene (PubChem CID 74765498) has the molecular formula C7H3Cl2F3S and a molecular weight of 247.07 g/mol. Its IUPAC name is 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(trifluoromethylsulfanyl)benzene
PubChem CID74765498
Molecular FormulaC7H3Cl2F3S
Molecular Weight247.07 g/mol
Exact Mass245.93
IUPAC Name1,2-dichloro-4-(trifluoromethylsulfanyl)benzene
SMILESFC(F)(F)Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H3Cl2F3S/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChIKeyNWCWECNQCYHESP-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene 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-dichloro-4-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene (CID 74765498) is 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene is FC(F)(F)Sc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene?
The InChIKey is NWCWECNQCYHESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2F3S/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H.
What are the key properties of 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene?
1,2-dichloro-4-(trifluoromethylsulfanyl)benzene has a molecular weight of 247.07 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 74765498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).