ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate

C8H10F3N3O2 — CID 177061168

IUPACethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C(N)C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-2-16-6(15)5-13-3-4-14(5)7(12)8(9,10)11/h3-4,7H,2,12H2,1H3
InChIKeyJHZVBKUKRXUYGY-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.08
Rot. Bonds3

About ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate

ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate (PubChem CID 177061168) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate
PubChem CID177061168
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Nameethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1C(N)C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-2-16-6(15)5-13-3-4-14(5)7(12)8(9,10)11/h3-4,7H,2,12H2,1H3
InChIKeyJHZVBKUKRXUYGY-UHFFFAOYSA-N
XLogP1.08
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate?
The IUPAC name of ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate (CID 177061168) is ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate is CCOC(=O)c1nccn1C(N)C(F)(F)F.
What is the InChIKey of ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate?
The InChIKey is JHZVBKUKRXUYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-2-16-6(15)5-13-3-4-14(5)7(12)8(9,10)11/h3-4,7H,2,12H2,1H3.
What are the key properties of ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate?
ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate has a molecular weight of 237.18 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-amino-2,2,2-trifluoroethyl)imidazole-2-carboxylate is sourced from PubChem (CID 177061168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).