5-Fluoro isoindoline hydrochloride

C8H9ClFNCAS 685565-15-5173.62 g/mol

Open in Covalent MOL file
HNFHCl
Aryl halideSecondary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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

Same formula

4-Fluoro-1H-isoindoline hydrochloride924305-06-6

Elsewhere

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