2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine

C9H10F3NO2S — CID 83236530

IUPAC2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1ccc(C(F)(F)CN)cc1F
InChIInChI=1S/C9H10F3NO2S/c1-16(14,15)8-3-2-6(4-7(8)10)9(11,12)5-13/h2-4H,5,13H2,1H3
InChIKeyRDVFMLBJCVUNET-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.28
Rot. Bonds3

About 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine

2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine (PubChem CID 83236530) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
PubChem CID83236530
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
SMILESCS(=O)(=O)c1ccc(C(F)(F)CN)cc1F
InChIInChI=1S/C9H10F3NO2S/c1-16(14,15)8-3-2-6(4-7(8)10)9(11,12)5-13/h2-4H,5,13H2,1H3
InChIKeyRDVFMLBJCVUNET-UHFFFAOYSA-N
XLogP1.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine 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-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine (CID 83236530) is 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine is CS(=O)(=O)c1ccc(C(F)(F)CN)cc1F.
What is the InChIKey of 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
The InChIKey is RDVFMLBJCVUNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-16(14,15)8-3-2-6(4-7(8)10)9(11,12)5-13/h2-4H,5,13H2,1H3.
What are the key properties of 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine?
2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine has a molecular weight of 253.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-fluoro-4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 83236530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).