chempirical

3-Fluoro-4-methylbenzonitrile

C8H6FNCAS 170572-49-3135.14 g/mol

Open in Covalent MOL file
NF
Aryl halideNitrile

Properties

Molecular formula
C8H6FN
Molar mass
135.14 g/mol
Exact mass
135.0484 Da
logP
2.01Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
170572-49-3
SMILES
CC1=C(C=C(C=C1)C#N)F
InChIKey
KUQQONVKIURIQU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 3-Fluoro-4-methylbenzonitrile

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

3,4-Dimethylbenzonitrile22884-95-364 % similar 3,4-Difluorobenzonitrile64248-62-064 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar 4-Bromo-3-fluorobenzonitrile133059-44-656 % similar 3-Chloro-4-methylbenzonitrile21423-81-456 % similar 4-Cyano-2-fluorophenol405-04-956 % similar 4-Amino-3-fluorobenzonitrile63069-50-156 % similar 3-Fluoro-4-methoxybenzonitrile331-62-456 % similar

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

Same formula

4-Fluoro-2-methylbenzonitrile147754-12-9 3-Fluoro-2-methylbenzonitrile185147-06-2 4-Fluoro-3-methylbenzonitrile185147-08-4 2-Fluoro-6-methylbenzonitrile198633-76-0 3-Fluoro-5-methylbenzonitrile216976-30-6 2-Fluorobenzeneacetonitrile326-62-5 7-Fluoro-1H-indole387-44-0 5-Fluoroindole399-52-0

Elsewhere

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