CAS 195136-67-5 3,5-Difluoro-2,4-dimethoxybenzenamine (HCID 10679192)

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Basic information

CAS: 195136-67-5
Standard SMILES: COc1c(N)cc(F)c(OC)c1F
InChIKey: IWVNUSZUKBDACW-UHFFFAOYSA-N
Molecular formula: C8H9F2NO2
Average molar mass: 189.16 g/mol
Monoisotopic mass: 189.06013485

Names & identifiers

Preferred name: 3,5-Difluoro-2,4-dimethoxybenzenamine
IUPAC: 3,5-difluoro-2,4-dimethoxyaniline
English name: 2,4-DiMethoxy-3,5-difluorobenzenaMine
Molecular formula: C8H9F2NO2
Molecular weight: 189.16

Names & synonyms

195136-67-53,5-Difluoro-2,4-dimethoxybenzenamineRefChem:2717423,5-Difluoro-2,4-dimethoxyaniline2,4-Dimethoxy-3,5-difluorobenzenamineMFCD125478671-amino-3,5-difluoro-2,4-dimethoxybenzene3,5-difluoro-2,4-dimethoxy-anilineSCHEMBL6371958IWVNUSZUKBDACW-UHFFFAOYSA-NDTXSID301287127AKOS006346336

Show more names

3,5-Difluoro-2,4-dimethoxyaniline, 97%Benzenamine, 3,5-difluoro-2,4-dimethoxy-DB-292262CS-0242104EN300-244810F81951F038789Z1201626608

Database identifiers

CAS: 195136-67-5
PubChem CID: 10679192
DTXSID: DTXSID301287127

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 170

Chemistry & industry

Applications

Uses1,3-Dimethoxy-2,4-difluorobenzene is a reagent used in the preparation of highly potent acyl protein thioesterase inhibitors with potential application to Huntington’s disease treatment.

Uses2,4-DiMethoxy-3,5-difluorobenzenaMine is a reagent used in the preparation of highly potent acyl protein thioesterase inhibitors with potential application to Huntington’s disease treatment.