3-(2-fluoroethylsulfinyl)propan-1-amine

C5H12FNOS — CID 58684411

IUPAC3-(2-fluoroethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CCF
InChIInChI=1S/C5H12FNOS/c6-2-5-9(8)4-1-3-7/h1-5,7H2
InChIKeyDGTVZRZTFPNGCL-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.05
Rot. Bonds5

About 3-(2-fluoroethylsulfinyl)propan-1-amine

3-(2-fluoroethylsulfinyl)propan-1-amine (PubChem CID 58684411) has the molecular formula C5H12FNOS and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroethylsulfinyl)propan-1-amine
PubChem CID58684411
Molecular FormulaC5H12FNOS
Molecular Weight153.22 g/mol
Exact Mass153.06
IUPAC Name3-(2-fluoroethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CCF
InChIInChI=1S/C5H12FNOS/c6-2-5-9(8)4-1-3-7/h1-5,7H2
InChIKeyDGTVZRZTFPNGCL-UHFFFAOYSA-N
XLogP0.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluoroethylsulfinyl)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-fluoroethylsulfinyl)propan-1-amine?
The IUPAC name of 3-(2-fluoroethylsulfinyl)propan-1-amine (CID 58684411) is 3-(2-fluoroethylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoroethylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoroethylsulfinyl)propan-1-amine is NCCCS(=O)CCF.
What is the InChIKey of 3-(2-fluoroethylsulfinyl)propan-1-amine?
The InChIKey is DGTVZRZTFPNGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNOS/c6-2-5-9(8)4-1-3-7/h1-5,7H2.
What are the key properties of 3-(2-fluoroethylsulfinyl)propan-1-amine?
3-(2-fluoroethylsulfinyl)propan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).