1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one

C17H18FNO2 — CID 62031771

IUPAC1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
SMILESO=C(COCCCc1ccncc1)Cc1ccccc1F
InChIInChI=1S/C17H18FNO2/c18-17-6-2-1-5-15(17)12-16(20)13-21-11-3-4-14-7-9-19-10-8-14/h1-2,5-10H,3-4,11-13H2
InChIKeyWMGKANXQTFINLU-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.98
Rot. Bonds8

About 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one

1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one (PubChem CID 62031771) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
PubChem CID62031771
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
SMILESO=C(COCCCc1ccncc1)Cc1ccccc1F
InChIInChI=1S/C17H18FNO2/c18-17-6-2-1-5-15(17)12-16(20)13-21-11-3-4-14-7-9-19-10-8-14/h1-2,5-10H,3-4,11-13H2
InChIKeyWMGKANXQTFINLU-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62029515
1-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765
1-(2-fluorophenyl)-3-(2-phenoxyethoxy)propan-2-one
CID 43798579
1-(2-cyclobutylethoxy)-3-(2-fluorophenyl)propan-2-one
CID 106203288
1-(2-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-one
CID 112588325
1-(cyclopropylmethoxy)-3-(2-fluorophenyl)propan-2-one
CID 43799215
ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate
CID 103484981
1-(2-fluorophenyl)-3-(2-methylpropoxy)propan-2-one
CID 43798706
1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62622512
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
CID 62031591

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one (CID 62031771) is 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one is O=C(COCCCc1ccncc1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one?
The InChIKey is WMGKANXQTFINLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-17-6-2-1-5-15(17)12-16(20)13-21-11-3-4-14-7-9-19-10-8-14/h1-2,5-10H,3-4,11-13H2.
What are the key properties of 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one?
1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one has a molecular weight of 287.33 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one is sourced from PubChem (CID 62031771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).