5-(trifluoromethyl)-2,3-dihydrospiro[indene-1,2'-pyrrolidine]

• ChemBase ID: 799508
• Molecular Formular: C13H14F3N
• Molecular Mass: 241.2521696
• Monoisotopic Mass: 241.10783411
• SMILES: C1C2(c3ccc(cc3C1)C(F)(F)F)NCCC2
• Canonical SMILES: FC(c1ccc2c(c1)CCC12CCCN1)(F)F
• InChI: InChI=1S/C13H14F3N/c14-13(15,16)10-2-3-11-9(8-10)4-6-12(11)5-1-7-17-12/h2-3,8,17H,1,4-7H2
• InChIKey: JHRCMLWHFCYKJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.04630056
• LogD (pH = 7.4): 0.32804388
• Log P: 3.2832336
• Molar Refractivity: 60.2911 cm^3
• Polarizability: 22.381992 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%