4-fluoro-2-methyl-2-(methylideneamino)butanenitrile

C6H9FN2 — CID 139406698

IUPAC4-fluoro-2-methyl-2-(methylideneamino)butanenitrile
SMILESC=NC(C)(C#N)CCF
InChIInChI=1S/C6H9FN2/c1-6(5-8,9-2)3-4-7/h2-4H2,1H3
InChIKeyWKECITSNVGRMDS-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.33
Rot. Bonds3

About 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile

4-fluoro-2-methyl-2-(methylideneamino)butanenitrile (PubChem CID 139406698) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile.

Molecular Properties

Compound Name4-fluoro-2-methyl-2-(methylideneamino)butanenitrile
PubChem CID139406698
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name4-fluoro-2-methyl-2-(methylideneamino)butanenitrile
SMILESC=NC(C)(C#N)CCF
InChIInChI=1S/C6H9FN2/c1-6(5-8,9-2)3-4-7/h2-4H2,1H3
InChIKeyWKECITSNVGRMDS-UHFFFAOYSA-N
XLogP1.33
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
2-(benzylideneamino)-5-fluoro-2-methylpentanenitrile
CID 90251308
2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile
CID 18913437
2-[(2-cyano-4-hydroxybutan-2-yl)diazenyl]-4-hydroxy-2-methylbutanenitrile;2-[(2-cyano-1-hydroxypropan-2-yl)diazenyl]-3-hydroxy-2-methylpropanenitrile
CID 160702229
2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 87395428
2-fluoro-2-methylpropanenitrile
CID 10129896
4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid;dihydrochloride
CID 141256752
N-(4-methyloctan-4-yl)methanimine
CID 163935005
2-(tert-butyldiazenyl)-5-[4-(tert-butyldiazenyl)-4-cyanopentyl]peroxy-2-methylpentanenitrile
CID 88810761
2-(2-cyanobutan-2-yldiazenyl)-2-methylbutanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanobutan-2-yldiazenyl)-2-methylpentanenitrile;2-(2-cyanoheptan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylheptanenitrile;2-(2-cyanopentan-2-yldiazenyl)-2-methylpentanenitrile
CID 173276451
4-cyano-4-[[2-cyano-5-oxo-5-[(2,2,2-trichloroacetyl)amino]pentan-2-yl]diazenyl]-N-(2,2,2-trichloroacetyl)pentanamide
CID 71343257
6-amino-2-methyl-2-methylsulfanylhexanenitrile
CID 145075262

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile?
The IUPAC name of 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile (CID 139406698) is 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile.
What is the SMILES notation for 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile?
The canonical SMILES for 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile is C=NC(C)(C#N)CCF.
What is the InChIKey of 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile?
The InChIKey is WKECITSNVGRMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2/c1-6(5-8,9-2)3-4-7/h2-4H2,1H3.
What are the key properties of 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile?
4-fluoro-2-methyl-2-(methylideneamino)butanenitrile has a molecular weight of 128.15 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-2-(methylideneamino)butanenitrile is sourced from PubChem (CID 139406698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).