2-chloro-6-(difluoromethylsulfanyl)aniline

C7H6ClF2NS — CID 106701531

IUPAC2-chloro-6-(difluoromethylsulfanyl)aniline
SMILESNc1c(Cl)cccc1SC(F)F
InChIInChI=1S/C7H6ClF2NS/c8-4-2-1-3-5(6(4)11)12-7(9)10/h1-3,7H,11H2
InChIKeyJUODHKLAASOYDB-UHFFFAOYSA-N
MW209.65 g/mol
LogP3.24
Rot. Bonds2

About 2-chloro-6-(difluoromethylsulfanyl)aniline

2-chloro-6-(difluoromethylsulfanyl)aniline (PubChem CID 106701531) has the molecular formula C7H6ClF2NS and a molecular weight of 209.65 g/mol. Its IUPAC name is 2-chloro-6-(difluoromethylsulfanyl)aniline.

Molecular Properties

Compound Name2-chloro-6-(difluoromethylsulfanyl)aniline
PubChem CID106701531
Molecular FormulaC7H6ClF2NS
Molecular Weight209.65 g/mol
Exact Mass208.99
IUPAC Name2-chloro-6-(difluoromethylsulfanyl)aniline
SMILESNc1c(Cl)cccc1SC(F)F
InChIInChI=1S/C7H6ClF2NS/c8-4-2-1-3-5(6(4)11)12-7(9)10/h1-3,7H,11H2
InChIKeyJUODHKLAASOYDB-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 53.24
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-(2-amino-3-chlorophenyl)sulfanylpropan-1-ol
CID 104835639
2-chloro-6-(difluoromethyl)aniline
CID 84656251
2-chloro-6-(2-methylphenyl)sulfanylaniline
CID 104835582
2,6-dichloro-4-(difluoromethylsulfanyl)aniline
CID 151650297
2-amino-3-chlorophenol
CID 19828962
2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline
CID 113458839
2-chloro-6-(5-methylpyrimidin-2-yl)sulfanylaniline
CID 104835593
2-chloro-6-propan-2-ylaniline
CID 18981698
3-chloro-N-[2-(difluoromethylsulfanyl)phenyl]-2-nitroaniline
CID 104838704
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
CID 130739555
(1R)-1-amino-1-(2-amino-3-chlorophenyl)propan-2-ol
CID 130643010
5-amino-2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 28551481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(difluoromethylsulfanyl)aniline?
The IUPAC name of 2-chloro-6-(difluoromethylsulfanyl)aniline (CID 106701531) is 2-chloro-6-(difluoromethylsulfanyl)aniline.
What is the SMILES notation for 2-chloro-6-(difluoromethylsulfanyl)aniline?
The canonical SMILES for 2-chloro-6-(difluoromethylsulfanyl)aniline is Nc1c(Cl)cccc1SC(F)F.
What is the InChIKey of 2-chloro-6-(difluoromethylsulfanyl)aniline?
The InChIKey is JUODHKLAASOYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NS/c8-4-2-1-3-5(6(4)11)12-7(9)10/h1-3,7H,11H2.
What are the key properties of 2-chloro-6-(difluoromethylsulfanyl)aniline?
2-chloro-6-(difluoromethylsulfanyl)aniline has a molecular weight of 209.65 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(difluoromethylsulfanyl)aniline is sourced from PubChem (CID 106701531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).