(2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate

C6H7F3N2O3 — CID 87548960

IUPAC(2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate
SMILESO=C(OC(=O)C(F)(F)F)N1CCNC1
InChIInChI=1S/C6H7F3N2O3/c7-6(8,9)4(12)14-5(13)11-2-1-10-3-11/h10H,1-3H2
InChIKeyCOFTYJDJSQJBLV-UHFFFAOYSA-N
MW212.13 g/mol
LogP0.07
Rot. Bonds

About (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate

(2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate (PubChem CID 87548960) has the molecular formula C6H7F3N2O3 and a molecular weight of 212.13 g/mol. Its IUPAC name is (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate.

Molecular Properties

Compound Name(2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate
PubChem CID87548960
Molecular FormulaC6H7F3N2O3
Molecular Weight212.13 g/mol
Exact Mass212.04
IUPAC Name(2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate
SMILESO=C(OC(=O)C(F)(F)F)N1CCNC1
InChIInChI=1S/C6H7F3N2O3/c7-6(8,9)4(12)14-5(13)11-2-1-10-3-11/h10H,1-3H2
InChIKeyCOFTYJDJSQJBLV-UHFFFAOYSA-N
XLogP0.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.13
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2,2,2-trifluoroacetyl) imidazolidine-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

Related Compounds

(2,2,2-trifluoroacetyl) piperidine-1-carboxylate
CID 87291791
pyrrolidine-1-carbonyl piperazine-1-carboxylate
CID 169258310
2-imidazolidin-1-yl-2-oxoacetaldehyde
CID 174498915
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
sulfanylidenemethanone;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 175551342
(2,2,2-trifluoroacetyl) 4-fluoropiperidine-4-carboxylate
CID 174230111
1-(1,4-diazepan-1-yl)-2,2,2-trifluoroethanone;hydrochloride
CID 50944168
methyl 1,3-diazepane-1-carboxylate
CID 151695586
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
(2,2,2-trifluoroacetyl) 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 134264380
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate?
The IUPAC name of (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate (CID 87548960) is (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate.
What is the SMILES notation for (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate?
The canonical SMILES for (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate is O=C(OC(=O)C(F)(F)F)N1CCNC1.
What is the InChIKey of (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate?
The InChIKey is COFTYJDJSQJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O3/c7-6(8,9)4(12)14-5(13)11-2-1-10-3-11/h10H,1-3H2.
What are the key properties of (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate?
(2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate has a molecular weight of 212.13 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoroacetyl) imidazolidine-1-carboxylate is sourced from PubChem (CID 87548960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).