2-(trifluoromethylsulfinyl)aniline

C7H6F3NOS — CID 61368631

IUPAC2-(trifluoromethylsulfinyl)aniline
SMILESNc1ccccc1S(=O)C(F)(F)F
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)13(12)6-4-2-1-3-5(6)11/h1-4H,11H2
InChIKeyOAFZTOSGYXTPME-UHFFFAOYSA-N
MW209.19 g/mol
LogP1.90
Rot. Bonds1

About 2-(trifluoromethylsulfinyl)aniline

2-(trifluoromethylsulfinyl)aniline (PubChem CID 61368631) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-(trifluoromethylsulfinyl)aniline.

Molecular Properties

Compound Name2-(trifluoromethylsulfinyl)aniline
PubChem CID61368631
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name2-(trifluoromethylsulfinyl)aniline
SMILESNc1ccccc1S(=O)C(F)(F)F
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)13(12)6-4-2-1-3-5(6)11/h1-4H,11H2
InChIKeyOAFZTOSGYXTPME-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(trifluoromethylsulfinyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Aminothiophenol
CID 8713
4-((Trifluoromethyl)thio)aniline
CID 123054
Benzenamine, 2-(phenylsulfonyl)-
CID 77956
2-(Methylthio)aniline
CID 76337
2-Difluoromethanesulfonylaniline
CID 710593
2-Amino-5-fluorobenzene-1-thiol
CID 320547
4-Aminophenyl trifluoromethyl sulphone
CID 136315
2-Methanesulfonylaniline
CID 244659
2-Aminobenzenesulfonyl fluoride
CID 97630
3-((Trifluoromethyl)thio)aniline
CID 2735939
2-Aminobenzenesulfonate
CID 5460186
Benzenamine, 2,2'-sulfonylbis-
CID 148620

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfinyl)aniline?
The IUPAC name of 2-(trifluoromethylsulfinyl)aniline (CID 61368631) is 2-(trifluoromethylsulfinyl)aniline.
What is the SMILES notation for 2-(trifluoromethylsulfinyl)aniline?
The canonical SMILES for 2-(trifluoromethylsulfinyl)aniline is Nc1ccccc1S(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfinyl)aniline?
The InChIKey is OAFZTOSGYXTPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)13(12)6-4-2-1-3-5(6)11/h1-4H,11H2.
What are the key properties of 2-(trifluoromethylsulfinyl)aniline?
2-(trifluoromethylsulfinyl)aniline has a molecular weight of 209.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfinyl)aniline is sourced from PubChem (CID 61368631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).