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

C6H12FNO2S — CID 105439420

IUPAC2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine
SMILESNCCC1(F)CCS(=O)(=O)C1
InChIInChI=1S/C6H12FNO2S/c7-6(1-3-8)2-4-11(9,10)5-6/h1-5,8H2
InChIKeyDPXLPQOSSIVERH-UHFFFAOYSA-N
MW181.23 g/mol
LogP-0.14
Rot. Bonds2

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

2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine (PubChem CID 105439420) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine
PubChem CID105439420
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine
SMILESNCCC1(F)CCS(=O)(=O)C1
InChIInChI=1S/C6H12FNO2S/c7-6(1-3-8)2-4-11(9,10)5-6/h1-5,8H2
InChIKeyDPXLPQOSSIVERH-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 200360
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 2772225
2-(Aminomethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 121207655
2-(1,1-Dioxothiolan-3-yl)ethanamine
CID 200361
2-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 55289628
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
5-(Fluoromethylsulfonyl)pentan-1-amine
CID 84718786
[3-(Fluoromethylsulfonyl)cyclopentyl]methanamine
CID 84720541
(3-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765190
(4-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765192
[3-(Fluoromethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 84768420

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
The IUPAC name of 2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine (CID 105439420) is 2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine is NCCC1(F)CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
The InChIKey is DPXLPQOSSIVERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-6(1-3-8)2-4-11(9,10)5-6/h1-5,8H2.
What are the key properties of 2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine has a molecular weight of 181.23 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine is sourced from PubChem (CID 105439420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).