3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine

C6H13F2NO2S — CID 81197861

IUPAC3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)CC(F)F
InChIInChI=1S/C6H13F2NO2S/c1-5(2-9)3-12(10,11)4-6(7)8/h5-6H,2-4,9H2,1H3
InChIKeyCVEOXJHRPOZILG-UHFFFAOYSA-N
MW201.24 g/mol
LogP0.26
Rot. Bonds5

About 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine

3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine (PubChem CID 81197861) has the molecular formula C6H13F2NO2S and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine
PubChem CID81197861
Molecular FormulaC6H13F2NO2S
Molecular Weight201.24 g/mol
Exact Mass201.06
IUPAC Name3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)CC(F)F
InChIInChI=1S/C6H13F2NO2S/c1-5(2-9)3-12(10,11)4-6(7)8/h5-6H,2-4,9H2,1H3
InChIKeyCVEOXJHRPOZILG-UHFFFAOYSA-N
XLogP0.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine 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 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine (CID 81197861) is 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine?
The InChIKey is CVEOXJHRPOZILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO2S/c1-5(2-9)3-12(10,11)4-6(7)8/h5-6H,2-4,9H2,1H3.
What are the key properties of 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine?
3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine has a molecular weight of 201.24 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylsulfonyl)-2-methylpropan-1-amine is sourced from PubChem (CID 81197861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).