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Search term: WESWYMRNZNDGBX-UHFFFAOYAW
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Inherent Properties, Identifiers and References
ChemSpider ID: 390111
Empirical Formula: C17H17ClF6N2O
Molecular Weight: 414.7731
Nominal Mass: 414 Da
Average Mass: 414.7731 Da
Monoisotopic Mass: 414.09336 Da
Systematic Name: [2,8-bis(trifluoromethyl)-4-quinolyl]-(2-piperidyl)methanol hydro​chloride
SMILES: Cl.FC(F)(F)c2cccc1c(cc(nc12)C(F)(F)F)C(O)C3NCCCC3
InChI: InChI=1/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2​-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7​H2;1H
InChIKey: WESWYMRNZNDGBX-UHFFFAOYAW
Std. InChI: InChI=1S/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-​2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-​7H2;1H
Std. InChIKey: WESWYMRNZNDGBX-UHFFFAOYSA-N
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  • miscellaneous
    • Source: synthetic
Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2-{[2,8-b​is(triflu​oromethyl​)quinolin​-4-yl](hy​droxy)met​hyl}piper​idinium c​hloride

4-quinoli​nemethano​l, alpha-​2-piperid​inyl-2,8-​bis(trifl​uoromethy​l)-, hydr​ochloride​ (1:1)

Mefloquin​e hydroch​loride

Mefloquin​e hydroch​loride (J​P15/USP)

2-[(2,8-B​is-triflu​oromethyl​-quinolin​-4-yl)-hy​droxy-met​hyl]-pipe​ridinium

2-[(2,8-B​is-triflu​oromethyl​-quinolin​-4-yl)-hy​droxy-met​hyl]-pipe​ridinium;​ chloride

51773-92-3 [RN]

53230-10-7 [RN]

Chloride [Wiki]

LARIAM [Wiki]

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/LogP: 2.47 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):
#H bond acceptors: 3 #H bond donors: 2
#Freely Rotating Bonds: 3 Polar Surface Area: 25.36 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 205.2 °C Enthalpy of Vaporization: 70.51 kJ/mol
Boiling Point: 415.7 °C at 760 mmHg Vapour Pressure: 1.18E-07 mmHg at 25°C