5-Fluoro isoindoline hydrochloride

C₈H₉ClFNCAS 685565-15-5173.62 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₈H₉ClFN
Molar mass: 173.62 g/mol
Exact mass: 173.0408 Da
logP: 1.85Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

685565-15-5

SMILES

C1C2=C(CN1)C=C(C=C2)F.Cl

InChIKey

NVFMCKBKBMZDOK-UHFFFAOYSA-N

InChI

InChI=1S/C8H8FN.ClH/c9-8-2-1-6-4-10-5-7(6)3-8;/h1-3,10H,4-5H2;1H

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Names and synonyms

1 names

5-Fluoro-2,3-dihydro-1H-isoindole hydrochloride

Work with 5-Fluoro isoindoline hydrochloride

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

5-Bromo-2,3-dihydro-1H-isoindole hydrochloride919346-89-755 % similar 1H,2H,3H-Pyrrolo(3,4-c)pyridine dihydrochloride6000-50-642 % similar 5-Fluoroindoline2343-22-841 % similar 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride220247-87-041 % similar Isoindoline496-12-841 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride215798-19-941 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride220247-73-441 % similar 2,5-Difluorophenylhydrazine monohydrochloride175135-73-640 % similar

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

Elsewhere

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