N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

C8H10F3N3O2 — CID 103725243

IUPACN-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCc1cnc[nH]1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)4-16-3-7(15)13-2-6-1-12-5-14-6/h1,5H,2-4H2,(H,12,14)(H,13,15)
InChIKeyYQDCEYUOTNZGPQ-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.60
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103725243) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103725243
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCc1cnc[nH]1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)4-16-3-7(15)13-2-6-1-12-5-14-6/h1,5H,2-4H2,(H,12,14)(H,13,15)
InChIKeyYQDCEYUOTNZGPQ-UHFFFAOYSA-N
XLogP0.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103725243) is N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YQDCEYUOTNZGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)4-16-3-7(15)13-2-6-1-12-5-14-6/h1,5H,2-4H2,(H,12,14)(H,13,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 237.18 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103725243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).