2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol

C6H8F2N2O — CID 80605692

IUPAC2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)C(F)F
InChIInChI=1S/C6H8F2N2O/c1-10-3-9-2-4(10)5(11)6(7)8/h2-3,5-6,11H,1H3
InChIKeyXWXAFMDAZNBXNA-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.72
Rot. Bonds2

About 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol

2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol (PubChem CID 80605692) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol
PubChem CID80605692
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)C(F)F
InChIInChI=1S/C6H8F2N2O/c1-10-3-9-2-4(10)5(11)6(7)8/h2-3,5-6,11H,1H3
InChIKeyXWXAFMDAZNBXNA-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol (CID 80605692) is 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol is Cn1cncc1C(O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol?
The InChIKey is XWXAFMDAZNBXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-10-3-9-2-4(10)5(11)6(7)8/h2-3,5-6,11H,1H3.
What are the key properties of 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol?
2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol has a molecular weight of 162.14 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 80605692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).