2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile

C15H9F2N3 — CID 43580666

IUPAC2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(CNc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H9F2N3/c16-13-5-4-10(7-18)6-11(13)9-20-15-3-1-2-14(17)12(15)8-19/h1-6,20H,9H2
InChIKeyAJSIXEDXWPFEQM-UHFFFAOYSA-N
MW269.25 g/mol
LogP3.32
Rot. Bonds3

About 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile

2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile (PubChem CID 43580666) has the molecular formula C15H9F2N3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
PubChem CID43580666
Molecular FormulaC15H9F2N3
Molecular Weight269.25 g/mol
Exact Mass269.08
IUPAC Name2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(CNc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H9F2N3/c16-13-5-4-10(7-18)6-11(13)9-20-15-3-1-2-14(17)12(15)8-19/h1-6,20H,9H2
InChIKeyAJSIXEDXWPFEQM-UHFFFAOYSA-N
XLogP3.32
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyano-2-methylphenyl)methylamino]-6-fluorobenzonitrile
CID 114479886
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
CID 65316370
3-[(5-chloro-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 43438478
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzonitrile
CID 62331907
3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421
3-[(2-cyano-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 79034004
4-fluoro-3-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
CID 79768926
4-fluoro-3-[(3-methylanilino)methyl]benzonitrile
CID 28564272
3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile
CID 102663908
3-[(5-bromo-2-chloroanilino)methyl]-4-fluorobenzonitrile
CID 62914878

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile (CID 43580666) is 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile is N#Cc1ccc(F)c(CNc2cccc(F)c2C#N)c1.
What is the InChIKey of 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile?
The InChIKey is AJSIXEDXWPFEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3/c16-13-5-4-10(7-18)6-11(13)9-20-15-3-1-2-14(17)12(15)8-19/h1-6,20H,9H2.
What are the key properties of 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile?
2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile has a molecular weight of 269.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 43580666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).