2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide

C6H13F2N3O — CID 107494484

IUPAC2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide
SMILESNCCN(CC(N)=O)CC(F)F
InChIInChI=1S/C6H13F2N3O/c7-5(8)3-11(2-1-9)4-6(10)12/h5H,1-4,9H2,(H2,10,12)
InChIKeyWYLJVYFWARNZBG-UHFFFAOYSA-N
MW181.19 g/mol
LogP-1.00
Rot. Bonds6

About 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide

2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide (PubChem CID 107494484) has the molecular formula C6H13F2N3O and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide
PubChem CID107494484
Molecular FormulaC6H13F2N3O
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC Name2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide
SMILESNCCN(CC(N)=O)CC(F)F
InChIInChI=1S/C6H13F2N3O/c7-5(8)3-11(2-1-9)4-6(10)12/h5H,1-4,9H2,(H2,10,12)
InChIKeyWYLJVYFWARNZBG-UHFFFAOYSA-N
XLogP-1.00
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(2,2,2-trifluoroethyl)amino]acetamide
CID 28595914
2-Amino-N-(2,2,2-trifluoroethyl)acetamide hydrochloride (1:1)
CID 42913698
1-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 55252897
4-(2,2,2-Trifluoroethyl)piperazin-2-one
CID 67612876
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)acetamide hydrochloride
CID 54595114
2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide hydrochloride
CID 139026607
2-((2,2-Difluoroethyl)amino)acetamide hydrochloride
CID 165477993
2-[(2,2-difluoroethyl)amino]-N-methylacetamide hydrochloride
CID 165988701
N-(2-Dimethylaminoethyl)trifluoroacetamide
CID 18752931
N-(trifluoroacetyl)glycine amide
CID 21934708
2-[(2,2,2-Trifluoroethyl)amino]acetamide
CID 22561779
N,N-bis(2-aminoethyl)-2,2,2-trifluoroacetamide
CID 22902941

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide?
The IUPAC name of 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide (CID 107494484) is 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide.
What is the SMILES notation for 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide?
The canonical SMILES for 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide is NCCN(CC(N)=O)CC(F)F.
What is the InChIKey of 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide?
The InChIKey is WYLJVYFWARNZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O/c7-5(8)3-11(2-1-9)4-6(10)12/h5H,1-4,9H2,(H2,10,12).
What are the key properties of 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide?
2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide has a molecular weight of 181.19 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide is sourced from PubChem (CID 107494484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).