2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile

C16H12FNO2 — CID 62034545

IUPAC2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile
SMILESN#Cc1c(F)cccc1OCC(=O)Cc1ccccc1
InChIInChI=1S/C16H12FNO2/c17-15-7-4-8-16(14(15)10-18)20-11-13(19)9-12-5-2-1-3-6-12/h1-8H,9,11H2
InChIKeyNJBFSBGQHLZQLO-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.89
Rot. Bonds5

About 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile

2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile (PubChem CID 62034545) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile
PubChem CID62034545
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile
SMILESN#Cc1c(F)cccc1OCC(=O)Cc1ccccc1
InChIInChI=1S/C16H12FNO2/c17-15-7-4-8-16(14(15)10-18)20-11-13(19)9-12-5-2-1-3-6-12/h1-8H,9,11H2
InChIKeyNJBFSBGQHLZQLO-UHFFFAOYSA-N
XLogP2.89
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyano-3-fluorophenoxy)acetohydrazide
CID 63569107
2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
CID 62033638
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
1-(2-fluoro-4-nitrophenoxy)-3-phenylpropan-2-one
CID 61038327
2-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62032180
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
2-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-6-fluorobenzonitrile
CID 109416148
2-fluoro-6-[3-(methoxymethoxymethyl)-2-methylidenebut-3-enoxy]benzonitrile
CID 143156955
3-[3-(4-fluorophenyl)-2-oxopropoxy]benzonitrile
CID 62030654
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62028938

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile?
The IUPAC name of 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile (CID 62034545) is 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile?
The canonical SMILES for 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile is N#Cc1c(F)cccc1OCC(=O)Cc1ccccc1.
What is the InChIKey of 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile?
The InChIKey is NJBFSBGQHLZQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-15-7-4-8-16(14(15)10-18)20-11-13(19)9-12-5-2-1-3-6-12/h1-8H,9,11H2.
What are the key properties of 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile?
2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile has a molecular weight of 269.28 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile is sourced from PubChem (CID 62034545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).