N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide

C5H8F3N3O — CID 141001647

IUPACN-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide
SMILESC/N=C(\NC)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3N3O/c1-9-4(10-2)11-3(12)5(6,7)8/h1-2H3,(H2,9,10,11,12)
InChIKeyDXYZYPJMGHSUBF-UHFFFAOYSA-N
MW183.13 g/mol
LogP-0.13
Rot. Bonds

About N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide

N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide (PubChem CID 141001647) has the molecular formula C5H8F3N3O and a molecular weight of 183.13 g/mol. Its IUPAC name is N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide
PubChem CID141001647
Molecular FormulaC5H8F3N3O
Molecular Weight183.13 g/mol
Exact Mass183.06
IUPAC NameN-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide
SMILESC/N=C(\NC)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3N3O/c1-9-4(10-2)11-3(12)5(6,7)8/h1-2H3,(H2,9,10,11,12)
InChIKeyDXYZYPJMGHSUBF-UHFFFAOYSA-N
XLogP-0.13
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110930444
N-[N-[(6-chloro-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]-2,2,2-trifluoroacetamide
CID 15030446
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 75532327
2,2-dimethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]propanamide
CID 109471271
tert-butyl N-[1-[(N,N'-dimethylcarbamimidoyl)amino]-2-methylpropan-2-yl]carbamate
CID 111498039
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid chloride
CID 86602100
N,2-dimethyl-2-(methylamino)propanamide;hydrochloride
CID 75530899
1-amino-2,3-dimethylguanidine;hydrochloride
CID 14852961
N-[tert-butyl(methyl)silyl]-2,2,2-trifluoroacetamide
CID 154049838
2,2-dimethyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]propanamide
CID 108537712
2,2,2-trifluoro-N',N'-dimethylacetohydrazide
CID 3091354

Frequently Asked Questions

What is the IUPAC name of N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide (CID 141001647) is N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide is C/N=C(\NC)NC(=O)C(F)(F)F.
What is the InChIKey of N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide?
The InChIKey is DXYZYPJMGHSUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3O/c1-9-4(10-2)11-3(12)5(6,7)8/h1-2H3,(H2,9,10,11,12).
What are the key properties of N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide?
N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide has a molecular weight of 183.13 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 141001647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).