2-(2-fluoroethylsulfinyl)-6-methylaniline

C9H12FNOS — CID 81188107

IUPAC2-(2-fluoroethylsulfinyl)-6-methylaniline
SMILESCc1cccc(S(=O)CCF)c1N
InChIInChI=1S/C9H12FNOS/c1-7-3-2-4-8(9(7)11)13(12)6-5-10/h2-4H,5-6,11H2,1H3
InChIKeySCWPOSMZUTWAIS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.65
Rot. Bonds3

About 2-(2-fluoroethylsulfinyl)-6-methylaniline

2-(2-fluoroethylsulfinyl)-6-methylaniline (PubChem CID 81188107) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(2-fluoroethylsulfinyl)-6-methylaniline.

Molecular Properties

Compound Name2-(2-fluoroethylsulfinyl)-6-methylaniline
PubChem CID81188107
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name2-(2-fluoroethylsulfinyl)-6-methylaniline
SMILESCc1cccc(S(=O)CCF)c1N
InChIInChI=1S/C9H12FNOS/c1-7-3-2-4-8(9(7)11)13(12)6-5-10/h2-4H,5-6,11H2,1H3
InChIKeySCWPOSMZUTWAIS-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 2-(2-fluoroethylsulfinyl)-6-methylaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylsulfinyl)-6-methylaniline?
The IUPAC name of 2-(2-fluoroethylsulfinyl)-6-methylaniline (CID 81188107) is 2-(2-fluoroethylsulfinyl)-6-methylaniline.
What is the SMILES notation for 2-(2-fluoroethylsulfinyl)-6-methylaniline?
The canonical SMILES for 2-(2-fluoroethylsulfinyl)-6-methylaniline is Cc1cccc(S(=O)CCF)c1N.
What is the InChIKey of 2-(2-fluoroethylsulfinyl)-6-methylaniline?
The InChIKey is SCWPOSMZUTWAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-7-3-2-4-8(9(7)11)13(12)6-5-10/h2-4H,5-6,11H2,1H3.
What are the key properties of 2-(2-fluoroethylsulfinyl)-6-methylaniline?
2-(2-fluoroethylsulfinyl)-6-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 2-(2-fluoroethylsulfinyl)-6-methylaniline is sourced from PubChem (CID 81188107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).