6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile

C₁₀H₉FN₂OCAS 148901-53-5192.19 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Nitrile Tertiary amine

Properties

Molecular formula: C₁₀H₉FN₂O
Molar mass: 192.19 g/mol
Exact mass: 192.0699 Da
logP: 1.58Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

148901-53-5

SMILES

CN(C)c1ccc(C=O)c(F)c1C#N

InChIKey

ZGQREXNGDAXSQI-UHFFFAOYSA-N

InChI

InChI=1S/C10H9FN2O/c1-13(2)9-4-3-7(6-14)10(11)8(9)5-12/h3-4,6H,1-2H3

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Names and synonyms

3 names

Benzonitrile, 6-(dimethylamino)-2-fluoro-3-formyl-
3-Cyano-4-dimethylamino-2-fluorobenzaldehyde
6-Dimethylamino-2-fluoro-3-formylbenzonitrile

Work with 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Dimethylamino-6-fluorobenzonitrile96994-73-948 % similar 3-Fluoro-4-formylbenzonitrile105942-10-744 % similar 2,3-Difluoro-4-methylbenzaldehyde245536-50-941 % similar 2,3,4-Trifluorobenzaldehyde161793-17-540 % similar 2,3-Difluoro-4-hydroxybenzaldehyde676500-39-339 % similar 4-Bromo-2,3-difluorobenzaldehyde644985-24-038 % similar 5-Cyano-2-fluorobenzaldehyde146137-79-338 % similar 2-Cyanobenzaldehyde7468-67-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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