2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole

C11H10F2N2O — CID 126766145

IUPAC2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole
SMILESCn1ccnc1COc1c(F)cccc1F
InChIInChI=1S/C11H10F2N2O/c1-15-6-5-14-10(15)7-16-11-8(12)3-2-4-9(11)13/h2-6H,7H2,1H3
InChIKeyJELZCKWXMBLZKD-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.28
Rot. Bonds3

About 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole

2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole (PubChem CID 126766145) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole
PubChem CID126766145
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole
SMILESCn1ccnc1COc1c(F)cccc1F
InChIInChI=1S/C11H10F2N2O/c1-15-6-5-14-10(15)7-16-11-8(12)3-2-4-9(11)13/h2-6H,7H2,1H3
InChIKeyJELZCKWXMBLZKD-UHFFFAOYSA-N
XLogP2.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole?
The IUPAC name of 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole (CID 126766145) is 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole is Cn1ccnc1COc1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole?
The InChIKey is JELZCKWXMBLZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-15-6-5-14-10(15)7-16-11-8(12)3-2-4-9(11)13/h2-6H,7H2,1H3.
What are the key properties of 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole?
2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole has a molecular weight of 224.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 126766145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).