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

C6H10F3NO2S — CID 105470639

IUPAC2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine
SMILESNCC(F)(F)C1(F)CCS(=O)(=O)C1
InChIInChI=1S/C6H10F3NO2S/c7-5(6(8,9)3-10)1-2-13(11,12)4-5/h1-4,10H2
InChIKeyGNTAYLHYVBCTFS-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.11
Rot. Bonds2

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

2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine (PubChem CID 105470639) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine
PubChem CID105470639
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine
SMILESNCC(F)(F)C1(F)CCS(=O)(=O)C1
InChIInChI=1S/C6H10F3NO2S/c7-5(6(8,9)3-10)1-2-13(11,12)4-5/h1-4,10H2
InChIKeyGNTAYLHYVBCTFS-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.11
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
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
(3-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765190
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84768423
(4,4-Difluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84769609
(3,3-Difluoro-1,1-dioxothian-4-yl)methanamine
CID 84775226
2-(4,4-Difluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84775228
2-(3,3-Difluoro-1,1-dioxothian-4-yl)ethanamine
CID 84782747
[1,1-Dioxo-4-(2,2,2-trifluoroethyl)thiolan-3-yl]methanamine
CID 84794192
3-(2-Amino-1-fluoroethyl)-1lambda6-thiolane-1,1-dione
CID 105439418

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine (CID 105470639) is 2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine is NCC(F)(F)C1(F)CCS(=O)(=O)C1.
What is the InChIKey of 2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
The InChIKey is GNTAYLHYVBCTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-5(6(8,9)3-10)1-2-13(11,12)4-5/h1-4,10H2.
What are the key properties of 2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine?
2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine has a molecular weight of 217.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-fluoro-1,1-dioxothiolan-3-yl)ethanamine is sourced from PubChem (CID 105470639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).