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

C8H15F2N3O — CID 166711579

IUPAC1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(F)(F)CC1NC
InChIInChI=1S/C8H15F2N3O/c1-11-4-7(14)13-5-8(9,10)3-6(13)12-2/h6,11-12H,3-5H2,1-2H3
InChIKeyIGIVIJYXPMSXDP-UHFFFAOYSA-N
MW207.22 g/mol
LogP-0.38
Rot. Bonds3

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

1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone (PubChem CID 166711579) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is 1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone
PubChem CID166711579
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC Name1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CC(F)(F)CC1NC
InChIInChI=1S/C8H15F2N3O/c1-11-4-7(14)13-5-8(9,10)3-6(13)12-2/h6,11-12H,3-5H2,1-2H3
InChIKeyIGIVIJYXPMSXDP-UHFFFAOYSA-N
XLogP-0.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone (CID 166711579) is 1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CC(F)(F)CC1NC.
What is the InChIKey of 1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is IGIVIJYXPMSXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c1-11-4-7(14)13-5-8(9,10)3-6(13)12-2/h6,11-12H,3-5H2,1-2H3.
What are the key properties of 1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone?
1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 207.22 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-difluoro-2-(methylamino)pyrrolidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 166711579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).