2-(difluoromethyl)-1H-imidazol-5-ol

C4H4F2N2O — CID 84762380

IUPAC2-(difluoromethyl)-1H-imidazol-5-ol
SMILESOc1cnc(C(F)F)[nH]1
InChIInChI=1S/C4H4F2N2O/c5-3(6)4-7-1-2(9)8-4/h1,3,9H,(H,7,8)
InChIKeyWYAODVNZNGHERN-UHFFFAOYSA-N
MW134.09 g/mol
LogP1.05
Rot. Bonds1

About 2-(difluoromethyl)-1H-imidazol-5-ol

2-(difluoromethyl)-1H-imidazol-5-ol (PubChem CID 84762380) has the molecular formula C4H4F2N2O and a molecular weight of 134.09 g/mol. Its IUPAC name is 2-(difluoromethyl)-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1H-imidazol-5-ol
PubChem CID84762380
Molecular FormulaC4H4F2N2O
Molecular Weight134.09 g/mol
Exact Mass134.03
IUPAC Name2-(difluoromethyl)-1H-imidazol-5-ol
SMILESOc1cnc(C(F)F)[nH]1
InChIInChI=1S/C4H4F2N2O/c5-3(6)4-7-1-2(9)8-4/h1,3,9H,(H,7,8)
InChIKeyWYAODVNZNGHERN-UHFFFAOYSA-N
XLogP1.05
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1H-imidazol-5-ol?
The IUPAC name of 2-(difluoromethyl)-1H-imidazol-5-ol (CID 84762380) is 2-(difluoromethyl)-1H-imidazol-5-ol.
What is the SMILES notation for 2-(difluoromethyl)-1H-imidazol-5-ol?
The canonical SMILES for 2-(difluoromethyl)-1H-imidazol-5-ol is Oc1cnc(C(F)F)[nH]1.
What is the InChIKey of 2-(difluoromethyl)-1H-imidazol-5-ol?
The InChIKey is WYAODVNZNGHERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2O/c5-3(6)4-7-1-2(9)8-4/h1,3,9H,(H,7,8).
What are the key properties of 2-(difluoromethyl)-1H-imidazol-5-ol?
2-(difluoromethyl)-1H-imidazol-5-ol has a molecular weight of 134.09 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1H-imidazol-5-ol is sourced from PubChem (CID 84762380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).