2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine

C7H13F2NO2S — CID 105466699

IUPAC2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine
SMILESCNCC(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H13F2NO2S/c1-10-5-7(8,9)6-2-3-13(11,12)4-6/h6,10H,2-5H2,1H3
InChIKeyLKCBAVOIJIFESP-UHFFFAOYSA-N
MW213.25 g/mol
LogP0.28
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine

2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine (PubChem CID 105466699) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine
PubChem CID105466699
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine
SMILESCNCC(F)(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H13F2NO2S/c1-10-5-7(8,9)6-2-3-13(11,12)4-6/h6,10H,2-5H2,1H3
InChIKeyLKCBAVOIJIFESP-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methanesulfonyl-4-(trifluoromethyl)pyrrolidine
CID 122237253
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 61057655
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-difluoroethanamine
CID 61058644
N-[2-(1,1-dioxothiolan-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62987551
N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 64554599
8-(Difluoromethyl)-5lambda6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 71306117
8-(Fluoromethyl)-5-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 71306167
N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-difluoroethanamine
CID 81039850
N-[(1,1-dioxothiolan-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 81040861
3-[2-(Fluoromethylsulfonyl)ethyl]pyrrolidine
CID 84720548
2-(4,4-Difluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84775228
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine
CID 102869249

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine (CID 105466699) is 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine is CNCC(F)(F)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine?
The InChIKey is LKCBAVOIJIFESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-10-5-7(8,9)6-2-3-13(11,12)4-6/h6,10H,2-5H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine?
2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine has a molecular weight of 213.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 105466699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).