1-fluoro-3-(1H-imidazol-5-yl)propan-2-one

C6H7FN2O — CID 23343234

IUPAC1-fluoro-3-(1H-imidazol-5-yl)propan-2-one
SMILESO=C(CF)Cc1cnc[nH]1
InChIInChI=1S/C6H7FN2O/c7-2-6(10)1-5-3-8-4-9-5/h3-4H,1-2H2,(H,8,9)
InChIKeySFEOAJQZOYMKAC-UHFFFAOYSA-N
MW142.13 g/mol
LogP0.49
Rot. Bonds3

About 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one

1-fluoro-3-(1H-imidazol-5-yl)propan-2-one (PubChem CID 23343234) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-fluoro-3-(1H-imidazol-5-yl)propan-2-one
PubChem CID23343234
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name1-fluoro-3-(1H-imidazol-5-yl)propan-2-one
SMILESO=C(CF)Cc1cnc[nH]1
InChIInChI=1S/C6H7FN2O/c7-2-6(10)1-5-3-8-4-9-5/h3-4H,1-2H2,(H,8,9)
InChIKeySFEOAJQZOYMKAC-UHFFFAOYSA-N
XLogP0.49
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one?
The IUPAC name of 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one (CID 23343234) is 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one.
What is the SMILES notation for 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one?
The canonical SMILES for 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one is O=C(CF)Cc1cnc[nH]1.
What is the InChIKey of 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one?
The InChIKey is SFEOAJQZOYMKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c7-2-6(10)1-5-3-8-4-9-5/h3-4H,1-2H2,(H,8,9).
What are the key properties of 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one?
1-fluoro-3-(1H-imidazol-5-yl)propan-2-one has a molecular weight of 142.13 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(1H-imidazol-5-yl)propan-2-one is sourced from PubChem (CID 23343234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).