2-(difluoromethylsulfanyl)aniline

C7H7F2NS — CID 2560431

IUPAC2-(difluoromethylsulfanyl)aniline
SMILESNc1ccccc1SC(F)F
InChIInChI=1S/C7H7F2NS/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2
InChIKeyVNYLLNCVORSDAC-UHFFFAOYSA-N
MW175.20 g/mol
LogP2.58
Rot. Bonds2

About 2-(difluoromethylsulfanyl)aniline

2-(difluoromethylsulfanyl)aniline (PubChem CID 2560431) has the molecular formula C7H7F2NS and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)aniline
PubChem CID2560431
Molecular FormulaC7H7F2NS
Molecular Weight175.20 g/mol
Exact Mass175.03
IUPAC Name2-(difluoromethylsulfanyl)aniline
SMILESNc1ccccc1SC(F)F
InChIInChI=1S/C7H7F2NS/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2
InChIKeyVNYLLNCVORSDAC-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 52.58
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-Aminothiophenol
CID 8713
4-(Methylthio)aniline
CID 66038
4-((Trifluoromethyl)thio)aniline
CID 123054
2-(Phenylthio)aniline
CID 365393
Benzenamine, 3-(methylthio)-
CID 15693
[(4-Aminophenyl)sulfanyl]formonitrile
CID 76336
2-(Methylthio)aniline
CID 76337
2-(Isopropylthio)aniline
CID 13852720
2-Difluoromethanesulfonylaniline
CID 710593
2-Amino-5-fluorobenzene-1-thiol
CID 320547
4-Aminophenyl trifluoromethyl sulphone
CID 136315
2-Methanesulfonylaniline
CID 244659

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)aniline (CID 2560431) is 2-(difluoromethylsulfanyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)aniline is Nc1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)aniline?
The InChIKey is VNYLLNCVORSDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NS/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2.
What are the key properties of 2-(difluoromethylsulfanyl)aniline?
2-(difluoromethylsulfanyl)aniline has a molecular weight of 175.20 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)aniline is sourced from PubChem (CID 2560431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).