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

C7H13F2NO2S — CID 84782747

IUPAC2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine
SMILESNCCC1CCS(=O)(=O)CC1(F)F
InChIInChI=1S/C7H13F2NO2S/c8-7(9)5-13(11,12)4-2-6(7)1-3-10/h6H,1-5,10H2
InChIKeyGGZVYUNKVOFZOC-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.41
Rot. Bonds2

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

2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine (PubChem CID 84782747) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine
PubChem CID84782747
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine
SMILESNCCC1CCS(=O)(=O)CC1(F)F
InChIInChI=1S/C7H13F2NO2S/c8-7(9)5-13(11,12)4-2-6(7)1-3-10/h6H,1-5,10H2
InChIKeyGGZVYUNKVOFZOC-UHFFFAOYSA-N
XLogP0.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-difluoro-1,1-dioxothian-4-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

1-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)methanamine hydrochloride
CID 47000751
4-(Aminomethyl)-1lambda~6~-thiane-1,1-dione
CID 47000752
3-(Aminomethyl)-1lambda6-thiane-1,1-dione hydrochloride
CID 84669194
3-(Aminomethyl)-1lambda6-thiane-1,1-dione
CID 60796760
3-Methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 142791534
(3-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84022422
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
(3-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84768421
(4-Fluoro-1,1-dioxothian-3-yl)methanamine
CID 84768422
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84768423
(4,4-Difluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84769609

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine?
The IUPAC name of 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine (CID 84782747) is 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine is NCCC1CCS(=O)(=O)CC1(F)F.
What is the InChIKey of 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine?
The InChIKey is GGZVYUNKVOFZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c8-7(9)5-13(11,12)4-2-6(7)1-3-10/h6H,1-5,10H2.
What are the key properties of 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine?
2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine has a molecular weight of 213.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-1,1-dioxothian-4-yl)ethanamine is sourced from PubChem (CID 84782747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).