2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole

C11H9ClF2N2O — CID 60730512

IUPAC2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1COc1ccccc1Cl
InChIInChI=1S/C11H9ClF2N2O/c12-8-3-1-2-4-9(8)17-7-10-15-5-6-16(10)11(13)14/h1-6,11H,7H2
InChIKeyYNGUVFULVFIKSC-UHFFFAOYSA-N
MW258.66 g/mol
LogP3.51
Rot. Bonds4

About 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole

2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole (PubChem CID 60730512) has the molecular formula C11H9ClF2N2O and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole
PubChem CID60730512
Molecular FormulaC11H9ClF2N2O
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1COc1ccccc1Cl
InChIInChI=1S/C11H9ClF2N2O/c12-8-3-1-2-4-9(8)17-7-10-15-5-6-16(10)11(13)14/h1-6,11H,7H2
InChIKeyYNGUVFULVFIKSC-UHFFFAOYSA-N
XLogP3.51
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole (CID 60730512) is 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole is FC(F)n1ccnc1COc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole?
The InChIKey is YNGUVFULVFIKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O/c12-8-3-1-2-4-9(8)17-7-10-15-5-6-16(10)11(13)14/h1-6,11H,7H2.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole?
2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole has a molecular weight of 258.66 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-1-(difluoromethyl)imidazole is sourced from PubChem (CID 60730512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).