5-(ethylamino)-2-fluorobenzonitrile

C9H9FN2 — CID 62316083

IUPAC5-(ethylamino)-2-fluorobenzonitrile
SMILESCCNc1ccc(F)c(C#N)c1
InChIInChI=1S/C9H9FN2/c1-2-12-8-3-4-9(10)7(5-8)6-11/h3-5,12H,2H2,1H3
InChIKeyQQCXENCCBQHSNR-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.13
Rot. Bonds2

About 5-(ethylamino)-2-fluorobenzonitrile

5-(ethylamino)-2-fluorobenzonitrile (PubChem CID 62316083) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 5-(ethylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(ethylamino)-2-fluorobenzonitrile
PubChem CID62316083
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name5-(ethylamino)-2-fluorobenzonitrile
SMILESCCNc1ccc(F)c(C#N)c1
InChIInChI=1S/C9H9FN2/c1-2-12-8-3-4-9(10)7(5-8)6-11/h3-5,12H,2H2,1H3
InChIKeyQQCXENCCBQHSNR-UHFFFAOYSA-N
XLogP2.13
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(2-methylpropylamino)benzonitrile
CID 62316780
5-(2-ethylsulfonylethylamino)-2-fluorobenzonitrile
CID 62316635
5-[[(Z)-3-chloro-2-methylprop-2-enyl]amino]-2-fluorobenzonitrile
CID 106437691
5-(3-ethylsulfonylpropylamino)-2-fluorobenzonitrile
CID 65093319
2-fluoro-5-(3-methylbut-2-enylamino)benzonitrile
CID 107899874
5-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-2-fluorobenzonitrile
CID 102757849
2-fluoro-5-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzonitrile
CID 81419834
5-(4-cyanobutylamino)-2-fluorobenzonitrile
CID 62316279
2-fluoro-5-[(4-fluoro-3-methylphenyl)methylamino]benzonitrile
CID 55057726
5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile
CID 62316993
5-[(1-ethylpyrrol-3-yl)methylamino]-2-fluorobenzonitrile
CID 66416360
5-[(3,4-dimethylphenyl)methylamino]-2-fluorobenzonitrile
CID 55057627

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-fluorobenzonitrile?
The IUPAC name of 5-(ethylamino)-2-fluorobenzonitrile (CID 62316083) is 5-(ethylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(ethylamino)-2-fluorobenzonitrile?
The canonical SMILES for 5-(ethylamino)-2-fluorobenzonitrile is CCNc1ccc(F)c(C#N)c1.
What is the InChIKey of 5-(ethylamino)-2-fluorobenzonitrile?
The InChIKey is QQCXENCCBQHSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-2-12-8-3-4-9(10)7(5-8)6-11/h3-5,12H,2H2,1H3.
What are the key properties of 5-(ethylamino)-2-fluorobenzonitrile?
5-(ethylamino)-2-fluorobenzonitrile has a molecular weight of 164.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 62316083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).