[2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate

C14H18F3N3O4 — CID 146386164

IUPAC[2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate
SMILESCC(C)(CC1CN(C(=O)C(F)(F)F)CCO1)OC(=O)n1ccnc1
InChIInChI=1S/C14H18F3N3O4/c1-13(2,24-12(22)20-4-3-18-9-20)7-10-8-19(5-6-23-10)11(21)14(15,16)17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyASTGJOQJALKHCP-UHFFFAOYSA-N
MW349.31 g/mol
LogP1.83
Rot. Bonds3

About [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate

[2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate (PubChem CID 146386164) has the molecular formula C14H18F3N3O4 and a molecular weight of 349.31 g/mol. Its IUPAC name is [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate
PubChem CID146386164
Molecular FormulaC14H18F3N3O4
Molecular Weight349.31 g/mol
Exact Mass349.12
IUPAC Name[2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate
SMILESCC(C)(CC1CN(C(=O)C(F)(F)F)CCO1)OC(=O)n1ccnc1
InChIInChI=1S/C14H18F3N3O4/c1-13(2,24-12(22)20-4-3-18-9-20)7-10-8-19(5-6-23-10)11(21)14(15,16)17/h3-4,9-10H,5-8H2,1-2H3
InChIKeyASTGJOQJALKHCP-UHFFFAOYSA-N
XLogP1.83
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate 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 [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate?
The IUPAC name of [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate (CID 146386164) is [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate.
What is the SMILES notation for [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate?
The canonical SMILES for [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate is CC(C)(CC1CN(C(=O)C(F)(F)F)CCO1)OC(=O)n1ccnc1.
What is the InChIKey of [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate?
The InChIKey is ASTGJOQJALKHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O4/c1-13(2,24-12(22)20-4-3-18-9-20)7-10-8-19(5-6-23-10)11(21)14(15,16)17/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate?
[2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate has a molecular weight of 349.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[4-(2,2,2-trifluoroacetyl)morpholin-2-yl]propan-2-yl] imidazole-1-carboxylate is sourced from PubChem (CID 146386164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).