2,2-difluoro-1-imidazol-1-ylpropan-1-one

C6H6F2N2O — CID 58341600

IUPAC2,2-difluoro-1-imidazol-1-ylpropan-1-one
SMILESCC(F)(F)C(=O)n1ccnc1
InChIInChI=1S/C6H6F2N2O/c1-6(7,8)5(11)10-3-2-9-4-10/h2-4H,1H3
InChIKeyRQHADTLLZLWHFY-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.18
Rot. Bonds1

About 2,2-difluoro-1-imidazol-1-ylpropan-1-one

2,2-difluoro-1-imidazol-1-ylpropan-1-one (PubChem CID 58341600) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 2,2-difluoro-1-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-imidazol-1-ylpropan-1-one
PubChem CID58341600
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2,2-difluoro-1-imidazol-1-ylpropan-1-one
SMILESCC(F)(F)C(=O)n1ccnc1
InChIInChI=1S/C6H6F2N2O/c1-6(7,8)5(11)10-3-2-9-4-10/h2-4H,1H3
InChIKeyRQHADTLLZLWHFY-UHFFFAOYSA-N
XLogP1.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.18
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-imidazol-1-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-1-imidazol-1-ylpropan-1-one (CID 58341600) is 2,2-difluoro-1-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-1-imidazol-1-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-1-imidazol-1-ylpropan-1-one is CC(F)(F)C(=O)n1ccnc1.
What is the InChIKey of 2,2-difluoro-1-imidazol-1-ylpropan-1-one?
The InChIKey is RQHADTLLZLWHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-6(7,8)5(11)10-3-2-9-4-10/h2-4H,1H3.
What are the key properties of 2,2-difluoro-1-imidazol-1-ylpropan-1-one?
2,2-difluoro-1-imidazol-1-ylpropan-1-one has a molecular weight of 160.12 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 58341600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).