2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole

C7H9F3N2O — CID 123684522

IUPAC2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCCOCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H9F3N2O/c1-2-13-4-6-11-3-5(12-6)7(8,9)10/h3H,2,4H2,1H3,(H,11,12)
InChIKeyZXQBRIHNUNSPSK-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.97
Rot. Bonds3

About 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole

2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 123684522) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID123684522
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCCOCc1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H9F3N2O/c1-2-13-4-6-11-3-5(12-6)7(8,9)10/h3H,2,4H2,1H3,(H,11,12)
InChIKeyZXQBRIHNUNSPSK-UHFFFAOYSA-N
XLogP1.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Methyl-1H-imidazol-4-yl)methanol
CID 11480420
2-Methyl-5-(trifluoromethyl)-1H-imidazole
CID 591635
ethyl 4-(trifluoromethyl)-1H-imidazole-2-carboxylate
CID 67232218
5-Methyl-2-(trifluoromethyl)-1H-imidazole
CID 591585
4-(methoxymethyl)-1H-imidazole
CID 21401481
(4-methyl-1H-imidazol-2-yl)methanol hydrochloride
CID 53421706
2-(4-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 68798957
[4-(trifluoromethyl)-1H-imidazol-2-yl]methanamine dihydrochloride
CID 119030846
2,5-bis(trifluoromethyl)-1H-imidazole
CID 12811210
1-(5-(trifluoromethyl)-1H-imidazol-2-yl)ethan-1-amine dihydrochloride
CID 137964566
1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-amine hydrochloride
CID 145913535
Ethyl 5-methyl-1H-imidazole-2-carboxylate
CID 24974466

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole (CID 123684522) is 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole is CCOCc1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is ZXQBRIHNUNSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-13-4-6-11-3-5(12-6)7(8,9)10/h3H,2,4H2,1H3,(H,11,12).
What are the key properties of 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole?
2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 194.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 123684522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).