5-fluoro-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

• ChemBase ID: 799506
• Molecular Formular: C12H14FN
• Molecular Mass: 191.2446632
• Monoisotopic Mass: 191.11102767
• SMILES: C1C2(c3ccc(cc3C1)F)NCCC2
• Canonical SMILES: Fc1ccc2c(c1)CCC12CCCN1
• InChI: InChI=1S/C12H14FN/c13-10-2-3-11-9(8-10)4-6-12(11)5-1-7-14-12/h2-3,8,14H,1,4-7H2
• InChIKey: MCQVKKSUGHTDKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• IUPAC Traditional name: 5-fluoro-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
• Synonyms: 5-fluoro-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

Database IDs

• CAS Number: 1211594-23-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.68804693
• LogD (pH = 7.4): -0.3751384
• Log P: 2.5480871
• Molar Refractivity: 54.5338 cm^3
• Polarizability: 21.011295 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%