4-(4-fluoro-N-methylanilino)butanenitrile

C11H13FN2 — CID 60965381

IUPAC4-(4-fluoro-N-methylanilino)butanenitrile
SMILESCN(CCCC#N)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-14(9-3-2-8-13)11-6-4-10(12)5-7-11/h4-7H,2-3,9H2,1H3
InChIKeyKUBVMHRVAKBPDF-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.57
Rot. Bonds4

About 4-(4-fluoro-N-methylanilino)butanenitrile

4-(4-fluoro-N-methylanilino)butanenitrile (PubChem CID 60965381) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylanilino)butanenitrile.

Molecular Properties

Compound Name4-(4-fluoro-N-methylanilino)butanenitrile
PubChem CID60965381
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name4-(4-fluoro-N-methylanilino)butanenitrile
SMILESCN(CCCC#N)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2/c1-14(9-3-2-8-13)11-6-4-10(12)5-7-11/h4-7H,2-3,9H2,1H3
InChIKeyKUBVMHRVAKBPDF-UHFFFAOYSA-N
XLogP2.57
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-fluoro-N-methylaniline
CID 70573878
4-fluoro-N-methyl-N-propylaniline
CID 23197529
N'-(4-fluorophenyl)-N',2-dimethylpentane-1,5-diamine
CID 82682682
4-[3H-benzimidazol-5-yl(methyl)amino]butanenitrile
CID 115231610
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
4-[4-[(E)-2-[6-(4-fluorophenyl)-4-(4-methoxyphenyl)-1-methylpyridin-1-ium-2-yl]ethenyl]-N-methylanilino]butanenitrile iodide
CID 154594311
[4-[6-cyanohexyl(methyl)amino]phenyl] acetate
CID 14500543
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
N',1-bis(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62645224
4-[methyl-(3-oxo-4H-1,4-benzothiazin-6-yl)amino]butanenitrile
CID 115231603
3-[4-[(Z)-[2-(4-fluorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N-methylanilino]propanenitrile
CID 2442564
3-[N-methyl-4-(2-methylbutyl)anilino]propanenitrile
CID 143644079

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-N-methylanilino)butanenitrile?
The IUPAC name of 4-(4-fluoro-N-methylanilino)butanenitrile (CID 60965381) is 4-(4-fluoro-N-methylanilino)butanenitrile.
What is the SMILES notation for 4-(4-fluoro-N-methylanilino)butanenitrile?
The canonical SMILES for 4-(4-fluoro-N-methylanilino)butanenitrile is CN(CCCC#N)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoro-N-methylanilino)butanenitrile?
The InChIKey is KUBVMHRVAKBPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-14(9-3-2-8-13)11-6-4-10(12)5-7-11/h4-7H,2-3,9H2,1H3.
What are the key properties of 4-(4-fluoro-N-methylanilino)butanenitrile?
4-(4-fluoro-N-methylanilino)butanenitrile has a molecular weight of 192.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylanilino)butanenitrile is sourced from PubChem (CID 60965381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).