4-(2-acetyl-6-fluorophenoxy)benzonitrile

C15H10FNO2 — CID 114058519

IUPAC4-(2-acetyl-6-fluorophenoxy)benzonitrile
SMILESCC(=O)c1cccc(F)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C15H10FNO2/c1-10(18)13-3-2-4-14(16)15(13)19-12-7-5-11(9-17)6-8-12/h2-8H,1H3
InChIKeyNYBGNESTEQPLHD-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.69
Rot. Bonds3

About 4-(2-acetyl-6-fluorophenoxy)benzonitrile

4-(2-acetyl-6-fluorophenoxy)benzonitrile (PubChem CID 114058519) has the molecular formula C15H10FNO2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-(2-acetyl-6-fluorophenoxy)benzonitrile.

Molecular Properties

Compound Name4-(2-acetyl-6-fluorophenoxy)benzonitrile
PubChem CID114058519
Molecular FormulaC15H10FNO2
Molecular Weight255.25 g/mol
Exact Mass255.07
IUPAC Name4-(2-acetyl-6-fluorophenoxy)benzonitrile
SMILESCC(=O)c1cccc(F)c1Oc1ccc(C#N)cc1
InChIInChI=1S/C15H10FNO2/c1-10(18)13-3-2-4-14(16)15(13)19-12-7-5-11(9-17)6-8-12/h2-8H,1H3
InChIKeyNYBGNESTEQPLHD-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

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CID 103566607
3-fluoro-2-(4-methylphenoxy)benzoic acid
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(4-cyanophenyl) 2,6-difluorobenzoate
CID 532326
4-[2-(2-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 2440861
4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile
CID 175999058
2-(4-acetylphenoxy)benzene-1,3-dicarbonitrile
CID 2806212
4-[(4-acetyl-3-fluorophenoxy)methyl]benzonitrile
CID 91863386
4-[3-(2-chloro-3-fluorophenyl)-3-oxoprop-1-en-2-yl]oxybenzonitrile;N-methylmethanamine
CID 145071465
4-(3-acetylphenoxy)-3-fluorobenzonitrile
CID 107665227
2-amino-3-(4-cyanophenoxy)benzamide
CID 115546962
2-(4-cyanophenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51158907
[2-(2-fluorophenyl)-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 47003917

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetyl-6-fluorophenoxy)benzonitrile?
The IUPAC name of 4-(2-acetyl-6-fluorophenoxy)benzonitrile (CID 114058519) is 4-(2-acetyl-6-fluorophenoxy)benzonitrile.
What is the SMILES notation for 4-(2-acetyl-6-fluorophenoxy)benzonitrile?
The canonical SMILES for 4-(2-acetyl-6-fluorophenoxy)benzonitrile is CC(=O)c1cccc(F)c1Oc1ccc(C#N)cc1.
What is the InChIKey of 4-(2-acetyl-6-fluorophenoxy)benzonitrile?
The InChIKey is NYBGNESTEQPLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2/c1-10(18)13-3-2-4-14(16)15(13)19-12-7-5-11(9-17)6-8-12/h2-8H,1H3.
What are the key properties of 4-(2-acetyl-6-fluorophenoxy)benzonitrile?
4-(2-acetyl-6-fluorophenoxy)benzonitrile 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-(2-acetyl-6-fluorophenoxy)benzonitrile is sourced from PubChem (CID 114058519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).