tert-butyl 5-fluoro-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate

• ChemBase ID: 294741
• Molecular Formular: C17H23FN2O2
• Molecular Mass: 306.3751232
• Monoisotopic Mass: 306.17435621
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(F)cc21
• Canonical SMILES: Fc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)CN2
• InChI: InChI=1S/C17H23FN2O2/c1-16(2,3)22-15(21)20-8-6-17(7-9-20)11-19-14-5-4-12(18)10-13(14)17/h4-5,10,19H,6-9,11H2,1-3H3
• InChIKey: MPZQIQHRSUIGMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 5-fluoro-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate
• IUPAC Traditional name: tert-butyl 5-fluoro-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate
• Synonyms: tert-Butyl 5-fluorospiro[indoline-3,4'-piperidine]-1'-carboxylate

Database IDs

• CAS Number: 167484-91-5
• MDL Number: MFCD12198573
• PubChem SID: 180680272
• PubChem CID: 49760961

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5019195
• LogD (pH = 7.4): 2.5146718
• Log P: 2.5148368
• Molar Refractivity: 84.8728 cm^3
• Polarizability: 31.845753 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%