1-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 249226
• Molecular Formular: C10H11ClF3N
• Molecular Mass: 237.6492496
• Monoisotopic Mass: 237.0532117
• SMILES: C1(C(F)(F)F)(c2c(CC1)cccc2)N.Cl
• Canonical SMILES: FC(C1(N)CCc2c1cccc2)(F)F.Cl
• InChI: InChI=1S/C10H10F3N.ClH/c11-10(12,13)9(14)6-5-7-3-1-2-4-8(7)9;/h1-4H,5-6,14H2;1H
• InChIKey: MGSDNNBIVWUQSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: 1-(trifluoromethyl)-2,3-dihydroinden-1-amine hydrochloride
• Synonyms: 1-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine hydrochloride

Database IDs

• PubChem SID: 164305136
• PubChem CID: 71758694

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3702853
• LogD (pH = 7.4): 2.5198207
• Log P: 2.5221035
• Molar Refractivity: 47.4519 cm^3
• Polarizability: 17.652662 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 - 202°C
• Hydrophobicity(logP): 2.401

Product Information

• Purity: 95%