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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Related Compounds

ethyl 1-tert-butylimidazole-2-carboxylate
CID 132990489
diethyl imidazole-1,2-dicarboxylate
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CID 151215685
ethyl 1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]imidazole-2-carboxylate
CID 178080165
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CID 56871621
ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate
CID 150211347
ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate
CID 83439070
ethyl 2,2-difluoro-2-[(S)-(1-methylimidazol-2-yl)sulfinyl]acetate
CID 99982959
ethyl 1-fluorosulfanyl-4-methylimidazole-2-carboxylate
CID 142317096
ethyl 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazole-4-carboxylate
CID 103104810
ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate
CID 166619240
ethyl 2-(4-aminophenyl)-2-(2-methylimidazol-1-yl)acetate
CID 171801216

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).