2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole

C11H10BrFN2O — CID 62139509

IUPAC2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole
SMILESCCn1ccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C11H10BrFN2O/c1-2-15-6-5-14-11(15)16-10-4-3-8(13)7-9(10)12/h3-7H,2H2,1H3
InChIKeyAFKINZDCTYFALN-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.60
Rot. Bonds3

About 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole

2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole (PubChem CID 62139509) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole
PubChem CID62139509
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole
SMILESCCn1ccnc1Oc1ccc(F)cc1Br
InChIInChI=1S/C11H10BrFN2O/c1-2-15-6-5-14-11(15)16-10-4-3-8(13)7-9(10)12/h3-7H,2H2,1H3
InChIKeyAFKINZDCTYFALN-UHFFFAOYSA-N
XLogP3.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole (CID 62139509) is 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole is CCn1ccnc1Oc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole?
The InChIKey is AFKINZDCTYFALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-2-15-6-5-14-11(15)16-10-4-3-8(13)7-9(10)12/h3-7H,2H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole?
2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole has a molecular weight of 285.12 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-1-ethylimidazole is sourced from PubChem (CID 62139509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).