2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile

C16H11F2NO2 — CID 62032368

IUPAC2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
SMILESCC(Oc1cccc(F)c1C#N)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11F2NO2/c1-10(16(20)11-5-7-12(17)8-6-11)21-15-4-2-3-14(18)13(15)9-19/h2-8,10H,1H3
InChIKeyYFSACJWLNMSUMU-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.49
Rot. Bonds4

About 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile

2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile (PubChem CID 62032368) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
PubChem CID62032368
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
SMILESCC(Oc1cccc(F)c1C#N)C(=O)c1ccc(F)cc1
InChIInChI=1S/C16H11F2NO2/c1-10(16(20)11-5-7-12(17)8-6-11)21-15-4-2-3-14(18)13(15)9-19/h2-8,10H,1H3
InChIKeyYFSACJWLNMSUMU-UHFFFAOYSA-N
XLogP3.49
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
4-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxy-3-methoxybenzonitrile
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1-(4-fluorophenyl)-2-(2-propan-2-ylphenoxy)propan-1-one
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2-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7560443
1-(4-bromophenyl)-2-(2,3-difluorophenoxy)propan-1-one
CID 63038697
1-(4-fluorophenyl)-2-[2-(hydroxymethyl)phenoxy]propan-1-one
CID 63654138
(2-cyano-3-fluorophenyl) 2-hydroxy-2-methylpropanoate
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CID 64854262

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile?
The IUPAC name of 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile (CID 62032368) is 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile.
What is the SMILES notation for 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile?
The canonical SMILES for 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile is CC(Oc1cccc(F)c1C#N)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile?
The InChIKey is YFSACJWLNMSUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c1-10(16(20)11-5-7-12(17)8-6-11)21-15-4-2-3-14(18)13(15)9-19/h2-8,10H,1H3.
What are the key properties of 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile?
2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile has a molecular weight of 287.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile is sourced from PubChem (CID 62032368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).