2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole

C11H9F3N2O — CID 117187213

IUPAC2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole
SMILESFC(F)(F)c1ccccc1OCc1ncc[nH]1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-3-1-2-4-9(8)17-7-10-15-5-6-16-10/h1-6H,7H2,(H,15,16)
InChIKeyMYMWTRQWYLCXIV-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.01
Rot. Bonds3

About 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole

2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole (PubChem CID 117187213) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole
PubChem CID117187213
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole
SMILESFC(F)(F)c1ccccc1OCc1ncc[nH]1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-3-1-2-4-9(8)17-7-10-15-5-6-16-10/h1-6H,7H2,(H,15,16)
InChIKeyMYMWTRQWYLCXIV-UHFFFAOYSA-N
XLogP3.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine
CID 119126165
2-[(2-iodophenoxy)methyl]-1H-imidazole
CID 54027628
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 106994341
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
CID 117215893
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
2-(1H-imidazol-2-ylmethyl)-3-[2-phenyl-3-(trifluoromethyl)phenyl]pyridine
CID 54335066
3-fluoro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219491
2-(sulfanyloxymethyl)-1H-imidazole
CID 170244271
3-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117219492

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole?
The IUPAC name of 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole (CID 117187213) is 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole is FC(F)(F)c1ccccc1OCc1ncc[nH]1.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole?
The InChIKey is MYMWTRQWYLCXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)8-3-1-2-4-9(8)17-7-10-15-5-6-16-10/h1-6H,7H2,(H,15,16).
What are the key properties of 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole?
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole has a molecular weight of 242.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-imidazole is sourced from PubChem (CID 117187213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).