5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile

C16H14F2N2O — CID 133294688

IUPAC5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile
SMILESCN(CCOc1ccccc1F)c1ccc(F)cc1C#N
InChIInChI=1S/C16H14F2N2O/c1-20(15-7-6-13(17)10-12(15)11-19)8-9-21-16-5-3-2-4-14(16)18/h2-7,10H,8-9H2,1H3
InChIKeyXFWMIEGHTBDKDY-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.35
Rot. Bonds5

About 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile

5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile (PubChem CID 133294688) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile
PubChem CID133294688
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile
SMILESCN(CCOc1ccccc1F)c1ccc(F)cc1C#N
InChIInChI=1S/C16H14F2N2O/c1-20(15-7-6-13(17)10-12(15)11-19)8-9-21-16-5-3-2-4-14(16)18/h2-7,10H,8-9H2,1H3
InChIKeyXFWMIEGHTBDKDY-UHFFFAOYSA-N
XLogP3.35
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyano-4-fluorophenyl)-1-[2-(2-fluorophenoxy)ethyl]-1-methylurea
CID 78839338
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CID 61221871
5-fluoro-2-[3-hydroxybutyl(methyl)amino]benzonitrile
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5-fluoro-2-[methyl(pyridin-2-ylmethyl)amino]benzonitrile
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5-fluoro-2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]benzonitrile
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2-[methyl(2-phenoxyethyl)amino]-5-nitrobenzonitrile
CID 9113148
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702
N'-[2-(2-fluorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62686273
2-[(4-aminophenyl)methyl-methylamino]-5-fluorobenzonitrile
CID 63673135
N-[2-(2-fluorophenoxy)ethyl]-4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine
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3-[[2-(2-fluorophenoxy)ethyl-methylsulfamoyl]-methylamino]propanenitrile
CID 35431939
2,5-bis(2-fluoro-N-methylanilino)benzene-1,4-dicarbonitrile
CID 21058556

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile?
The IUPAC name of 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile (CID 133294688) is 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile is CN(CCOc1ccccc1F)c1ccc(F)cc1C#N.
What is the InChIKey of 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile?
The InChIKey is XFWMIEGHTBDKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-20(15-7-6-13(17)10-12(15)11-19)8-9-21-16-5-3-2-4-14(16)18/h2-7,10H,8-9H2,1H3.
What are the key properties of 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile?
5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile has a molecular weight of 288.30 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(2-fluorophenoxy)ethyl-methylamino]benzonitrile is sourced from PubChem (CID 133294688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).