1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole

C12H11F3N2O — CID 15396734

IUPAC1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole
SMILESFC(F)(F)c1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)10-1-3-11(4-2-10)18-8-7-17-6-5-16-9-17/h1-6,9H,7-8H2
InChIKeyLNTUFKPPLGUTBG-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.98
Rot. Bonds4

About 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole

1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole (PubChem CID 15396734) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole
PubChem CID15396734
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole
SMILESFC(F)(F)c1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)10-1-3-11(4-2-10)18-8-7-17-6-5-16-9-17/h1-6,9H,7-8H2
InChIKeyLNTUFKPPLGUTBG-UHFFFAOYSA-N
XLogP2.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole?
The IUPAC name of 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole (CID 15396734) is 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole is FC(F)(F)c1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole?
The InChIKey is LNTUFKPPLGUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)10-1-3-11(4-2-10)18-8-7-17-6-5-16-9-17/h1-6,9H,7-8H2.
What are the key properties of 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole?
1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole has a molecular weight of 256.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(trifluoromethyl)phenoxy]ethyl]imidazole is sourced from PubChem (CID 15396734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).