3-(difluoromethylsulfonyl)propan-1-amine

C4H9F2NO2S — CID 81186415

IUPAC3-(difluoromethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2NO2S/c5-4(6)10(8,9)3-1-2-7/h4H,1-3,7H2
InChIKeyFZRAZPDBGURATC-UHFFFAOYSA-N
MW173.18 g/mol
LogP-0.03
Rot. Bonds4

About 3-(difluoromethylsulfonyl)propan-1-amine

3-(difluoromethylsulfonyl)propan-1-amine (PubChem CID 81186415) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)propan-1-amine
PubChem CID81186415
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC Name3-(difluoromethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2NO2S/c5-4(6)10(8,9)3-1-2-7/h4H,1-3,7H2
InChIKeyFZRAZPDBGURATC-UHFFFAOYSA-N
XLogP-0.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethylsulfonyl)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-(difluoromethylsulfonyl)propan-1-amine?
The IUPAC name of 3-(difluoromethylsulfonyl)propan-1-amine (CID 81186415) is 3-(difluoromethylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(difluoromethylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(difluoromethylsulfonyl)propan-1-amine is NCCCS(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonyl)propan-1-amine?
The InChIKey is FZRAZPDBGURATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c5-4(6)10(8,9)3-1-2-7/h4H,1-3,7H2.
What are the key properties of 3-(difluoromethylsulfonyl)propan-1-amine?
3-(difluoromethylsulfonyl)propan-1-amine has a molecular weight of 173.18 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)propan-1-amine is sourced from PubChem (CID 81186415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).