1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone

C12H10F2N2O2 — CID 43341168

IUPAC1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C12H10F2N2O2/c13-12(14)18-10-4-2-1-3-8(10)9(17)7-11-15-5-6-16-11/h1-6,12H,7H2,(H,15,16)
InChIKeySPYMVYSISROWPJ-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.44
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone

1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone (PubChem CID 43341168) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone
PubChem CID43341168
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C12H10F2N2O2/c13-12(14)18-10-4-2-1-3-8(10)9(17)7-11-15-5-6-16-11/h1-6,12H,7H2,(H,15,16)
InChIKeySPYMVYSISROWPJ-UHFFFAOYSA-N
XLogP2.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone (CID 43341168) is 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone is O=C(Cc1ncc[nH]1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is SPYMVYSISROWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c13-12(14)18-10-4-2-1-3-8(10)9(17)7-11-15-5-6-16-11/h1-6,12H,7H2,(H,15,16).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone?
1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 252.22 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 43341168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).