1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one

C15H18FNO — CID 168880790

IUPAC1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C12CCN1CC(F)C2
InChIInChI=1S/C15H18FNO/c16-13-10-15(8-9-17(15)11-13)14(18)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyDENMYHUVRITLTH-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.37
Rot. Bonds4

About 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one

1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one (PubChem CID 168880790) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one
PubChem CID168880790
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C12CCN1CC(F)C2
InChIInChI=1S/C15H18FNO/c16-13-10-15(8-9-17(15)11-13)14(18)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKeyDENMYHUVRITLTH-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one (CID 168880790) is 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)C12CCN1CC(F)C2.
What is the InChIKey of 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one?
The InChIKey is DENMYHUVRITLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c16-13-10-15(8-9-17(15)11-13)14(18)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2.
What are the key properties of 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one?
1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one has a molecular weight of 247.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-azabicyclo[3.2.0]heptan-5-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 168880790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).