1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone

C8H14F3N3O2S — CID 177168531

IUPAC1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILES[H]N=S(=O)(F)CC1CC(F)(F)CN1C(=O)CNC
InChIInChI=1S/C8H14F3N3O2S/c1-13-3-7(15)14-5-8(9,10)2-6(14)4-17(11,12)16/h6,12-13H,2-5H2,1H3
InChIKeyIGUVCFZPALIAQO-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.37
Rot. Bonds4

About 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone

1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone (PubChem CID 177168531) has the molecular formula C8H14F3N3O2S and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone
PubChem CID177168531
Molecular FormulaC8H14F3N3O2S
Molecular Weight273.28 g/mol
Exact Mass273.08
IUPAC Name1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILES[H]N=S(=O)(F)CC1CC(F)(F)CN1C(=O)CNC
InChIInChI=1S/C8H14F3N3O2S/c1-13-3-7(15)14-5-8(9,10)2-6(14)4-17(11,12)16/h6,12-13H,2-5H2,1H3
InChIKeyIGUVCFZPALIAQO-UHFFFAOYSA-N
XLogP0.37
TPSA73.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone (CID 177168531) is 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone is [H]N=S(=O)(F)CC1CC(F)(F)CN1C(=O)CNC.
What is the InChIKey of 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is IGUVCFZPALIAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2S/c1-13-3-7(15)14-5-8(9,10)2-6(14)4-17(11,12)16/h6,12-13H,2-5H2,1H3.
What are the key properties of 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 273.28 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-difluoro-2-[(fluorosulfonimidoyl)methyl]pyrrolidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 177168531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).