5-(difluoromethoxy)-1H-imidazole

C4H4F2N2O — CID 118818229

IUPAC5-(difluoromethoxy)-1H-imidazole
SMILESFC(F)Oc1cnc[nH]1
InChIInChI=1S/C4H4F2N2O/c5-4(6)9-3-1-7-2-8-3/h1-2,4H,(H,7,8)
InChIKeyZAIXUZAHXIMSFL-UHFFFAOYSA-N
MW134.09 g/mol
LogP1.01
Rot. Bonds2

About 5-(difluoromethoxy)-1H-imidazole

5-(difluoromethoxy)-1H-imidazole (PubChem CID 118818229) has the molecular formula C4H4F2N2O and a molecular weight of 134.09 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1H-imidazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1H-imidazole
PubChem CID118818229
Molecular FormulaC4H4F2N2O
Molecular Weight134.09 g/mol
Exact Mass134.03
IUPAC Name5-(difluoromethoxy)-1H-imidazole
SMILESFC(F)Oc1cnc[nH]1
InChIInChI=1S/C4H4F2N2O/c5-4(6)9-3-1-7-2-8-3/h1-2,4H,(H,7,8)
InChIKeyZAIXUZAHXIMSFL-UHFFFAOYSA-N
XLogP1.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1H-imidazole?
The IUPAC name of 5-(difluoromethoxy)-1H-imidazole (CID 118818229) is 5-(difluoromethoxy)-1H-imidazole.
What is the SMILES notation for 5-(difluoromethoxy)-1H-imidazole?
The canonical SMILES for 5-(difluoromethoxy)-1H-imidazole is FC(F)Oc1cnc[nH]1.
What is the InChIKey of 5-(difluoromethoxy)-1H-imidazole?
The InChIKey is ZAIXUZAHXIMSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2O/c5-4(6)9-3-1-7-2-8-3/h1-2,4H,(H,7,8).
What are the key properties of 5-(difluoromethoxy)-1H-imidazole?
5-(difluoromethoxy)-1H-imidazole has a molecular weight of 134.09 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1H-imidazole is sourced from PubChem (CID 118818229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).