2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide

C8H5F6N3O3 — CID 91737313

IUPAC2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide
SMILESCN1CC(=O)N(C(=O)C(F)(F)F)/C1=N/C(=O)C(F)(F)F
InChIInChI=1S/C8H5F6N3O3/c1-16-2-3(18)17(5(20)8(12,13)14)6(16)15-4(19)7(9,10)11/h2H2,1H3/b15-6+
InChIKeyNLIXQAMYEPFSAT-GIDUJCDVSA-N
MW305.13 g/mol
LogP0.29
Rot. Bonds

About 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide

2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide (PubChem CID 91737313) has the molecular formula C8H5F6N3O3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide
PubChem CID91737313
Molecular FormulaC8H5F6N3O3
Molecular Weight305.13 g/mol
Exact Mass305.02
IUPAC Name2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide
SMILESCN1CC(=O)N(C(=O)C(F)(F)F)/C1=N/C(=O)C(F)(F)F
InChIInChI=1S/C8H5F6N3O3/c1-16-2-3(18)17(5(20)8(12,13)14)6(16)15-4(19)7(9,10)11/h2H2,1H3/b15-6+
InChIKeyNLIXQAMYEPFSAT-GIDUJCDVSA-N
XLogP0.29
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetyl-1-methyl-4-oxoimidazolidin-2-ylidene)acetamide
CID 91716816
N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide
CID 171931726
N-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)acetamide
CID 130769760
1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea
CID 54230876
1,4,7-trimethyl-1,4,7-triazonane-2,5,8-trione
CID 71358039
1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
CID 130670161
3-methyl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione
CID 550419
2,2,2-trifluoro-N-(2-methylthiadiazol-5-ylidene)acetamide
CID 88698582
(2Z)-3-amino-2-hydrazinylidene-1-methylimidazolidin-4-one
CID 91290617
(2E)-3-amino-2-hydrazinylidene-1-methylimidazolidin-4-one
CID 59934338
3-methyl-1-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 126989037
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 104857752

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide (CID 91737313) is 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide is CN1CC(=O)N(C(=O)C(F)(F)F)/C1=N/C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide?
The InChIKey is NLIXQAMYEPFSAT-GIDUJCDVSA-N. The full InChI is InChI=1S/C8H5F6N3O3/c1-16-2-3(18)17(5(20)8(12,13)14)6(16)15-4(19)7(9,10)11/h2H2,1H3/b15-6+.
What are the key properties of 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide?
2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide has a molecular weight of 305.13 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-methyl-4-oxo-3-(2,2,2-trifluoroacetyl)imidazolidin-2-ylidene]acetamide is sourced from PubChem (CID 91737313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).