2,6-dichloro-4-(difluoromethylsulfanyl)aniline

C7H5Cl2F2NS — CID 151650297

IUPAC2,6-dichloro-4-(difluoromethylsulfanyl)aniline
SMILESNc1c(Cl)cc(SC(F)F)cc1Cl
InChIInChI=1S/C7H5Cl2F2NS/c8-4-1-3(13-7(10)11)2-5(9)6(4)12/h1-2,7H,12H2
InChIKeyQUJKTVMTHQOEEJ-UHFFFAOYSA-N
MW244.09 g/mol
LogP3.89
Rot. Bonds2

About 2,6-dichloro-4-(difluoromethylsulfanyl)aniline

2,6-dichloro-4-(difluoromethylsulfanyl)aniline (PubChem CID 151650297) has the molecular formula C7H5Cl2F2NS and a molecular weight of 244.09 g/mol. Its IUPAC name is 2,6-dichloro-4-(difluoromethylsulfanyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(difluoromethylsulfanyl)aniline
PubChem CID151650297
Molecular FormulaC7H5Cl2F2NS
Molecular Weight244.09 g/mol
Exact Mass242.95
IUPAC Name2,6-dichloro-4-(difluoromethylsulfanyl)aniline
SMILESNc1c(Cl)cc(SC(F)F)cc1Cl
InChIInChI=1S/C7H5Cl2F2NS/c8-4-1-3(13-7(10)11)2-5(9)6(4)12/h1-2,7H,12H2
InChIKeyQUJKTVMTHQOEEJ-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(difluoromethylsulfanyl)aniline
CID 106701531
2,6-dichloro-4-(2,6-dichlorophenyl)sulfanylaniline
CID 90344489
2-chloro-5-(difluoromethylsulfanyl)pyrimidine
CID 175669841
2-chloro-5-(1,2,2-trifluoroethylsulfanyl)aniline
CID 175407446
6-bromo-4-chloro-2-(difluoromethyl)pyridin-3-amine
CID 130101605
4-[(1R)-1-aminobut-3-enyl]-2,6-dichloroaniline
CID 131172310
2,6-dichloro-4-[(2,2-difluoroethylamino)methyl]aniline
CID 82841143
2,6-dichloro-4-methylaniline;ethane
CID 143233725
4-[4-(difluoromethylsulfanyl)phenyl]-2-methylaniline
CID 54912624
1-(chloromethyl)-4-(difluoromethylsulfanyl)benzene
CID 14674272
4-chloro-1-(difluoromethylsulfanyl)-2-fluorobenzene
CID 70999978
5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
CID 117357259

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(difluoromethylsulfanyl)aniline?
The IUPAC name of 2,6-dichloro-4-(difluoromethylsulfanyl)aniline (CID 151650297) is 2,6-dichloro-4-(difluoromethylsulfanyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(difluoromethylsulfanyl)aniline?
The canonical SMILES for 2,6-dichloro-4-(difluoromethylsulfanyl)aniline is Nc1c(Cl)cc(SC(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(difluoromethylsulfanyl)aniline?
The InChIKey is QUJKTVMTHQOEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NS/c8-4-1-3(13-7(10)11)2-5(9)6(4)12/h1-2,7H,12H2.
What are the key properties of 2,6-dichloro-4-(difluoromethylsulfanyl)aniline?
2,6-dichloro-4-(difluoromethylsulfanyl)aniline has a molecular weight of 244.09 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(difluoromethylsulfanyl)aniline is sourced from PubChem (CID 151650297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).