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

C6H11F2NO2S — CID 84775228

IUPAC2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine
SMILESNCCC1CS(=O)(=O)CC1(F)F
InChIInChI=1S/C6H11F2NO2S/c7-6(8)4-12(10,11)3-5(6)1-2-9/h5H,1-4,9H2
InChIKeyIGGLPQQRYQZILT-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.02
Rot. Bonds2

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

2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine (PubChem CID 84775228) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine
PubChem CID84775228
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine
SMILESNCCC1CS(=O)(=O)CC1(F)F
InChIInChI=1S/C6H11F2NO2S/c7-6(8)4-12(10,11)3-5(6)1-2-9/h5H,1-4,9H2
InChIKeyIGGLPQQRYQZILT-UHFFFAOYSA-N
XLogP0.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.02
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
2-(1,1-Dioxothiolan-3-yl)ethanamine
CID 200361
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62987551
3-(Cyclopentylmethylsulfonyl)-4,4,4-trifluorobutan-1-amine
CID 64697882
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
(4-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765192
(3-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84768421
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84768423
(4,4-Difluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84769609
2-(3-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84773581
(3,3-Difluoro-1,1-dioxothian-4-yl)methanamine
CID 84775226

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine (CID 84775228) is 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine is NCCC1CS(=O)(=O)CC1(F)F.
What is the InChIKey of 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine?
The InChIKey is IGGLPQQRYQZILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c7-6(8)4-12(10,11)3-5(6)1-2-9/h5H,1-4,9H2.
What are the key properties of 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine?
2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine has a molecular weight of 199.22 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-1,1-dioxothiolan-3-yl)ethanamine is sourced from PubChem (CID 84775228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).