1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone

C16H16FNO2 — CID 62029515

IUPAC1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone
SMILESO=C(COCCCc1ccncc1)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-15-6-2-1-5-14(15)16(19)12-20-11-3-4-13-7-9-18-10-8-13/h1-2,5-10H,3-4,11-12H2
InChIKeyWVXZCVCKBNOBLM-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.05
Rot. Bonds7

About 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone

1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone (PubChem CID 62029515) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone
PubChem CID62029515
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone
SMILESO=C(COCCCc1ccncc1)c1ccccc1F
InChIInChI=1S/C16H16FNO2/c17-15-6-2-1-5-14(15)16(19)12-20-11-3-4-13-7-9-18-10-8-13/h1-2,5-10H,3-4,11-12H2
InChIKeyWVXZCVCKBNOBLM-UHFFFAOYSA-N
XLogP3.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.05
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-phenyl-2-(3-pyridin-4-ylpropoxy)ethanone
CID 62031765
1-(2-fluorophenyl)-3-(3-pyridin-4-ylpropoxy)propan-2-one
CID 62031771
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
2-but-3-enoxy-1-(2-fluorophenyl)ethanone
CID 62030066
1-(2,6-difluorophenyl)-2-(2-phenylethoxy)ethanone
CID 43800820
1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
CID 62031591
methyl 3-(3-pyridin-4-ylpropoxy)propanoate
CID 29006354
ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate
CID 103484981
1-(2-fluorophenyl)-2-(oxan-4-ylmethoxy)ethanone
CID 62381911
2-[(2-bromophenyl)methoxy]-1-(2-fluorophenyl)ethanone
CID 82826611
2-cyclopentyloxy-1-(2-fluorophenyl)ethanone
CID 43799397
1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone
CID 76931527

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone (CID 62029515) is 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone is O=C(COCCCc1ccncc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone?
The InChIKey is WVXZCVCKBNOBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-15-6-2-1-5-14(15)16(19)12-20-11-3-4-13-7-9-18-10-8-13/h1-2,5-10H,3-4,11-12H2.
What are the key properties of 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone?
1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone has a molecular weight of 273.31 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(3-pyridin-4-ylpropoxy)ethanone is sourced from PubChem (CID 62029515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).