[1-(difluoromethyl)-2-methylimidazol-4-yl]methanol

C6H8F2N2O — CID 166087665

IUPAC[1-(difluoromethyl)-2-methylimidazol-4-yl]methanol
SMILESCc1nc(CO)cn1C(F)F
InChIInChI=1S/C6H8F2N2O/c1-4-9-5(3-11)2-10(4)6(7)8/h2,6,11H,3H2,1H3
InChIKeyXQFJQJPDLWFXFZ-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.08
Rot. Bonds2

About [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol

[1-(difluoromethyl)-2-methylimidazol-4-yl]methanol (PubChem CID 166087665) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(difluoromethyl)-2-methylimidazol-4-yl]methanol
PubChem CID166087665
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name[1-(difluoromethyl)-2-methylimidazol-4-yl]methanol
SMILESCc1nc(CO)cn1C(F)F
InChIInChI=1S/C6H8F2N2O/c1-4-9-5(3-11)2-10(4)6(7)8/h2,6,11H,3H2,1H3
InChIKeyXQFJQJPDLWFXFZ-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol?
The IUPAC name of [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol (CID 166087665) is [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol.
What is the SMILES notation for [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol?
The canonical SMILES for [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol is Cc1nc(CO)cn1C(F)F.
What is the InChIKey of [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol?
The InChIKey is XQFJQJPDLWFXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-4-9-5(3-11)2-10(4)6(7)8/h2,6,11H,3H2,1H3.
What are the key properties of [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol?
[1-(difluoromethyl)-2-methylimidazol-4-yl]methanol has a molecular weight of 162.14 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-2-methylimidazol-4-yl]methanol is sourced from PubChem (CID 166087665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).