4-(3-acetylphenoxy)-3-fluorobenzonitrile

C15H10FNO2 — CID 107665227

IUPAC4-(3-acetylphenoxy)-3-fluorobenzonitrile
SMILESCC(=O)c1cccc(Oc2ccc(C#N)cc2F)c1
InChIInChI=1S/C15H10FNO2/c1-10(18)12-3-2-4-13(8-12)19-15-6-5-11(9-17)7-14(15)16/h2-8H,1H3
InChIKeySSJOPOHPUKNFJL-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.69
Rot. Bonds3

About 4-(3-acetylphenoxy)-3-fluorobenzonitrile

4-(3-acetylphenoxy)-3-fluorobenzonitrile (PubChem CID 107665227) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-3-fluorobenzonitrile
PubChem CID107665227
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name4-(3-acetylphenoxy)-3-fluorobenzonitrile
SMILESCC(=O)c1cccc(Oc2ccc(C#N)cc2F)c1
InChIInChI=1S/C15H10FNO2/c1-10(18)12-3-2-4-13(8-12)19-15-6-5-11(9-17)7-14(15)16/h2-8H,1H3
InChIKeySSJOPOHPUKNFJL-UHFFFAOYSA-N
XLogP3.69
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-acetylphenoxy)-4-methylbenzonitrile
CID 107658586
1-[3-(4-bromo-2-fluorophenoxy)phenyl]ethanone
CID 79167211
3-(4-acetyl-2-fluorophenoxy)benzoic acid
CID 61395599
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
CID 47184501
3-(4-acetyl-2-chlorophenoxy)benzonitrile
CID 55131875
4-(4-cyano-2-fluorophenoxy)benzamide
CID 43657479
4-(3-acetylphenoxy)-3,5-dimethylbenzonitrile
CID 79167595
4-(3-acetylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
CID 4606659
1-[3-(2-fluoro-3-methylphenoxy)phenyl]ethanone
CID 107658623
1-[3-fluoro-4-(3-methylsulfonylphenoxy)phenyl]ethanone
CID 43807076
3-(5-cyano-2-methylphenoxy)benzoic acid
CID 107658929
1-[3-fluoro-4-(3-nitrophenoxy)phenyl]ethanone
CID 61030514

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(3-acetylphenoxy)-3-fluorobenzonitrile (CID 107665227) is 4-(3-acetylphenoxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(3-acetylphenoxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(3-acetylphenoxy)-3-fluorobenzonitrile is CC(=O)c1cccc(Oc2ccc(C#N)cc2F)c1.
What is the InChIKey of 4-(3-acetylphenoxy)-3-fluorobenzonitrile?
The InChIKey is SSJOPOHPUKNFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c1-10(18)12-3-2-4-13(8-12)19-15-6-5-11(9-17)7-14(15)16/h2-8H,1H3.
What are the key properties of 4-(3-acetylphenoxy)-3-fluorobenzonitrile?
4-(3-acetylphenoxy)-3-fluorobenzonitrile has a molecular weight of 255.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-3-fluorobenzonitrile is sourced from PubChem (CID 107665227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).