6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride

• ChemBase ID: 121471
• Molecular Formular: C14H19ClFN
• Molecular Mass: 255.7587632
• Monoisotopic Mass: 255.11900551
• SMILES: N1c2c(C(CC31CCCC3)C)cc(cc2)F.Cl
• Canonical SMILES: Fc1ccc2c(c1)C(C)CC1(N2)CCCC1.Cl
• InChI: InChI=1S/C14H18FN.ClH/c1-10-9-14(6-2-3-7-14)16-13-5-4-11(15)8-12(10)13;/h4-5,8,10,16H,2-3,6-7,9H2,1H3;1H
• InChIKey: DYEOQGQEWUINTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride
• IUPAC Traditional name: 6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride
• Synonyms: 6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride

Database IDs

• PubChem SID: 162215824
• PubChem CID: 17037736

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5506756
• LogD (pH = 7.4): 3.6374457
• Log P: 3.6386728
• Molar Refractivity: 65.2302 cm^3
• Polarizability: 24.31203 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl