2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one

C7H9FN2O — CID 146826103

IUPAC2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)n1ccnc1
InChIInChI=1S/C7H9FN2O/c1-7(2,8)6(11)10-4-3-9-5-10/h3-5H,1-2H3
InChIKeySCZSJLIEXWFOBG-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.27
Rot. Bonds1

About 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one

2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one (PubChem CID 146826103) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
PubChem CID146826103
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)n1ccnc1
InChIInChI=1S/C7H9FN2O/c1-7(2,8)6(11)10-4-3-9-5-10/h3-5H,1-2H3
InChIKeySCZSJLIEXWFOBG-UHFFFAOYSA-N
XLogP1.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one?
The IUPAC name of 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one (CID 146826103) is 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one is CC(C)(F)C(=O)n1ccnc1.
What is the InChIKey of 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one?
The InChIKey is SCZSJLIEXWFOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-7(2,8)6(11)10-4-3-9-5-10/h3-5H,1-2H3.
What are the key properties of 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one?
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one has a molecular weight of 156.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 146826103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).