2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine

C6H12FNO2S — CID 84768423

IUPAC2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine
SMILESNCCC1CS(=O)(=O)CC1F
InChIInChI=1S/C6H12FNO2S/c7-6-4-11(9,10)3-5(6)1-2-8/h5-6H,1-4,8H2
InChIKeyONGUVEZLHUPZFA-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.28
Rot. Bonds2

About 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine

2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine (PubChem CID 84768423) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine
PubChem CID84768423
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine
SMILESNCCC1CS(=O)(=O)CC1F
InChIInChI=1S/C6H12FNO2S/c7-6-4-11(9,10)3-5(6)1-2-8/h5-6H,1-4,8H2
InChIKeyONGUVEZLHUPZFA-UHFFFAOYSA-N
XLogP-0.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 200360
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 2772225
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 11286884
2-(1,1-Dioxothiolan-3-yl)ethanamine
CID 200361
2-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 55289628
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
1-(1,1-Dioxothiolan-3-yl)propan-2-amine
CID 200359
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
[3-(Fluoromethylsulfonyl)cyclopentyl]methanamine
CID 84720541
3-[2-(Fluoromethylsulfonyl)ethyl]pyrrolidine
CID 84720548
(3-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765190
(4-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765192

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
The IUPAC name of 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine (CID 84768423) is 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine is NCCC1CS(=O)(=O)CC1F.
What is the InChIKey of 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
The InChIKey is ONGUVEZLHUPZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-6-4-11(9,10)3-5(6)1-2-8/h5-6H,1-4,8H2.
What are the key properties of 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine has a molecular weight of 181.23 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1,1-dioxothiolan-3-yl)ethanamine is sourced from PubChem (CID 84768423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).