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Basic Information
CAS No.: 171338-27-5
Name: 2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine
Article Data: 10
Molecular Structure:
Molecular Structure of 171338-27-5 (2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine)
Formula: C20H18F7NO2
Molecular Weight: 437.357
Synonyms: Morpholine,2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, [2R-[2a(R*),3a]]-;
Density: 1.375 g/cm3
Boiling Point: 387.856 °C at 760 mmHg
Flash Point: 188.369 °C
PSA: 30.49000
LogP: 5.99300
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Chemistry

Molecule structure of Morpholine,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, (2R,3S)- (CAS NO.171338-27-5):

Molecular Weight: 437.35 g/mol
Molecular Formula: C20H18F7NO2
Density: 1.375 g/cm3 
Boiling Point: 387.856 °C at 760 mmHg 
Flash Point: 188.369 °C
Index of Refraction: 1.505
Molar Refractivity: 94.363 cm3
Molar Volume: 318.187 cm3 
Surface Tension: 36.583 dyne/cm 
Enthalpy of Vaporization: 63.698 kJ/mol 
InChI: InChI=1/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3/t11-,17+,18-/m1/s1 
InChIKey: AFBDSAJOMZYQAI-CNOZUTPLBE 
Product Categories: Various Metabolites and Impurities;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals

Uses

 Morpholine,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, (2R,3S)- (CAS NO.171338-27-5) is used as a metabolite of Aprepitant.

Specification

 Morpholine,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, (2R,3S)- (CAS NO.171338-27-5) is also named as (2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine ; (2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine ; 2-(R)-[1-(R)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine[Aprepitant-M2] . Morpholine,2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, (2R,3S)- (CAS NO.171338-27-5) is yellow oil.