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

C7H4Cl2F2S — CID 51062427

IUPAC1,2-dichloro-4-(difluoromethylsulfanyl)benzene
SMILESFC(F)Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H4Cl2F2S/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3,7H
InChIKeyDAKZBPFYRVHLJG-UHFFFAOYSA-N
MW229.08 g/mol
LogP4.31
Rot. Bonds2

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

1,2-dichloro-4-(difluoromethylsulfanyl)benzene (PubChem CID 51062427) has the molecular formula C7H4Cl2F2S and a molecular weight of 229.08 g/mol. Its IUPAC name is 1,2-dichloro-4-(difluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(difluoromethylsulfanyl)benzene
PubChem CID51062427
Molecular FormulaC7H4Cl2F2S
Molecular Weight229.08 g/mol
Exact Mass227.94
IUPAC Name1,2-dichloro-4-(difluoromethylsulfanyl)benzene
SMILESFC(F)Sc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H4Cl2F2S/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3,7H
InChIKeyDAKZBPFYRVHLJG-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(difluoromethylsulfanyl)benzene?
The IUPAC name of 1,2-dichloro-4-(difluoromethylsulfanyl)benzene (CID 51062427) is 1,2-dichloro-4-(difluoromethylsulfanyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(difluoromethylsulfanyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(difluoromethylsulfanyl)benzene is FC(F)Sc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(difluoromethylsulfanyl)benzene?
The InChIKey is DAKZBPFYRVHLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2S/c8-5-2-1-4(3-6(5)9)12-7(10)11/h1-3,7H.
What are the key properties of 1,2-dichloro-4-(difluoromethylsulfanyl)benzene?
1,2-dichloro-4-(difluoromethylsulfanyl)benzene has a molecular weight of 229.08 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(difluoromethylsulfanyl)benzene is sourced from PubChem (CID 51062427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).