2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone

C6H6F2N2O — CID 112705391

IUPAC2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)C(F)F
InChIInChI=1S/C6H6F2N2O/c1-10-3-2-9-6(10)4(11)5(7)8/h2-3,5H,1H3
InChIKeyMCBMWZBZLNNQIY-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.87
Rot. Bonds2

About 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone

2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone (PubChem CID 112705391) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone
PubChem CID112705391
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone
SMILESCn1ccnc1C(=O)C(F)F
InChIInChI=1S/C6H6F2N2O/c1-10-3-2-9-6(10)4(11)5(7)8/h2-3,5H,1H3
InChIKeyMCBMWZBZLNNQIY-UHFFFAOYSA-N
XLogP0.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone (CID 112705391) is 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone is Cn1ccnc1C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone?
The InChIKey is MCBMWZBZLNNQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-10-3-2-9-6(10)4(11)5(7)8/h2-3,5H,1H3.
What are the key properties of 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone?
2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone has a molecular weight of 160.12 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 112705391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).