4-(2-fluoroethylsulfinyl)-3-methylaniline

C9H12FNOS — CID 81192968

IUPAC4-(2-fluoroethylsulfinyl)-3-methylaniline
SMILESCc1cc(N)ccc1S(=O)CCF
InChIInChI=1S/C9H12FNOS/c1-7-6-8(11)2-3-9(7)13(12)5-4-10/h2-3,6H,4-5,11H2,1H3
InChIKeyGUIVXIHEBDAGSP-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.65
Rot. Bonds3

About 4-(2-fluoroethylsulfinyl)-3-methylaniline

4-(2-fluoroethylsulfinyl)-3-methylaniline (PubChem CID 81192968) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-fluoroethylsulfinyl)-3-methylaniline.

Molecular Properties

Compound Name4-(2-fluoroethylsulfinyl)-3-methylaniline
PubChem CID81192968
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name4-(2-fluoroethylsulfinyl)-3-methylaniline
SMILESCc1cc(N)ccc1S(=O)CCF
InChIInChI=1S/C9H12FNOS/c1-7-6-8(11)2-3-9(7)13(12)5-4-10/h2-3,6H,4-5,11H2,1H3
InChIKeyGUIVXIHEBDAGSP-UHFFFAOYSA-N
XLogP1.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-fluoroethylsulfinyl)-3-methylaniline 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

3-methyl-4-(4-methylpentylsulfinyl)aniline
CID 83162539
4-benzylsulfinyl-3-methylaniline
CID 81191892
3-methyl-4-(2,2,2-trifluoroethoxymethylsulfinyl)aniline
CID 106706700
4-[(5-fluoro-2-methylphenyl)methylsulfinyl]-3-methylaniline
CID 105376337
3-methyl-4-[3-(oxolan-2-yl)propylsulfinyl]aniline
CID 81191890
4-[(3,4-dichlorophenyl)methylsulfinyl]-3-methylaniline
CID 81192754
3-methyl-4-(1,3-thiazol-2-ylmethylsulfinyl)aniline
CID 81192620
2-(4-amino-2-methylphenyl)sulfinyl-N-tert-butylacetamide
CID 81193087
3-methyl-4-(oxolan-3-ylmethylsulfinyl)aniline
CID 81191876
4-[(5-bromo-2-pyridinyl)methylsulfinyl]-3-methylaniline
CID 104814024
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81192225
2-(4-amino-2-methylphenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81184334

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylsulfinyl)-3-methylaniline?
The IUPAC name of 4-(2-fluoroethylsulfinyl)-3-methylaniline (CID 81192968) is 4-(2-fluoroethylsulfinyl)-3-methylaniline.
What is the SMILES notation for 4-(2-fluoroethylsulfinyl)-3-methylaniline?
The canonical SMILES for 4-(2-fluoroethylsulfinyl)-3-methylaniline is Cc1cc(N)ccc1S(=O)CCF.
What is the InChIKey of 4-(2-fluoroethylsulfinyl)-3-methylaniline?
The InChIKey is GUIVXIHEBDAGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-7-6-8(11)2-3-9(7)13(12)5-4-10/h2-3,6H,4-5,11H2,1H3.
What are the key properties of 4-(2-fluoroethylsulfinyl)-3-methylaniline?
4-(2-fluoroethylsulfinyl)-3-methylaniline has a molecular weight of 201.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylsulfinyl)-3-methylaniline is sourced from PubChem (CID 81192968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).