N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide

C9H14F3N3O3 — CID 171931726

IUPACN-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide
SMILESCC1(C)N(O)C(=NC(=O)C(F)(F)F)N(O)C1(C)C
InChIInChI=1S/C9H14F3N3O3/c1-7(2)8(3,4)15(18)6(14(7)17)13-5(16)9(10,11)12/h17-18H,1-4H3
InChIKeyXEPVECPIHKOVFE-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.38
Rot. Bonds

About N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide

N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide (PubChem CID 171931726) has the molecular formula C9H14F3N3O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide
PubChem CID171931726
Molecular FormulaC9H14F3N3O3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC NameN-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide
SMILESCC1(C)N(O)C(=NC(=O)C(F)(F)F)N(O)C1(C)C
InChIInChI=1S/C9H14F3N3O3/c1-7(2)8(3,4)15(18)6(14(7)17)13-5(16)9(10,11)12/h17-18H,1-4H3
InChIKeyXEPVECPIHKOVFE-UHFFFAOYSA-N
XLogP1.38
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide (CID 171931726) is N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide is CC1(C)N(O)C(=NC(=O)C(F)(F)F)N(O)C1(C)C.
What is the InChIKey of N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide?
The InChIKey is XEPVECPIHKOVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3/c1-7(2)8(3,4)15(18)6(14(7)17)13-5(16)9(10,11)12/h17-18H,1-4H3.
What are the key properties of N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide?
N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide has a molecular weight of 269.22 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-4,4,5,5-tetramethylimidazolidin-2-ylidene)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 171931726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).