3-(2,2-difluoroethylsulfinyl)propan-1-amine

C5H11F2NOS — CID 58684917

IUPAC3-(2,2-difluoroethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC(F)F
InChIInChI=1S/C5H11F2NOS/c6-5(7)4-10(9)3-1-2-8/h5H,1-4,8H2
InChIKeyHNNPJOGGNKLHRB-UHFFFAOYSA-N
MW171.21 g/mol
LogP0.35
Rot. Bonds5

About 3-(2,2-difluoroethylsulfinyl)propan-1-amine

3-(2,2-difluoroethylsulfinyl)propan-1-amine (PubChem CID 58684917) has the molecular formula C5H11F2NOS and a molecular weight of 171.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethylsulfinyl)propan-1-amine
PubChem CID58684917
Molecular FormulaC5H11F2NOS
Molecular Weight171.21 g/mol
Exact Mass171.05
IUPAC Name3-(2,2-difluoroethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC(F)F
InChIInChI=1S/C5H11F2NOS/c6-5(7)4-10(9)3-1-2-8/h5H,1-4,8H2
InChIKeyHNNPJOGGNKLHRB-UHFFFAOYSA-N
XLogP0.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-difluoroethylsulfinyl)propan-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-difluoroethylsulfinyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethylsulfinyl)propan-1-amine (CID 58684917) is 3-(2,2-difluoroethylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethylsulfinyl)propan-1-amine is NCCCS(=O)CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylsulfinyl)propan-1-amine?
The InChIKey is HNNPJOGGNKLHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NOS/c6-5(7)4-10(9)3-1-2-8/h5H,1-4,8H2.
What are the key properties of 3-(2,2-difluoroethylsulfinyl)propan-1-amine?
3-(2,2-difluoroethylsulfinyl)propan-1-amine has a molecular weight of 171.21 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).