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Also known as: 287930-75-0, (r)-4-benzyl-2-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one, (2r)-4-benzyl-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}morpholin-3-one, (r)-4-benzyl-2-((r)-1-(3,5-bis(trifluoromethyl)-phenyl)ethoxy)morpholin-3-one, (2r)-4-benzyl-2-((1r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one, Schembl23421475
Molecular Formula
C21H19F6NO3
Molecular Weight
447.4  g/mol
InChI Key
KVPJNHLVRGUYGQ-BFUOFWGJSA-N

287930-75-0
1 2D Structure

287930-75-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one
2.1.2 InChI
InChI=1S/C21H19F6NO3/c1-13(15-9-16(20(22,23)24)11-17(10-15)21(25,26)27)31-19-18(29)28(7-8-30-19)12-14-5-3-2-4-6-14/h2-6,9-11,13,19H,7-8,12H2,1H3/t13-,19-/m1/s1
2.1.3 InChI Key
KVPJNHLVRGUYGQ-BFUOFWGJSA-N
2.1.4 Canonical SMILES
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(=O)N(CCO2)CC3=CC=CC=C3
2.1.5 Isomeric SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2C(=O)N(CCO2)CC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 287930-75-0

2. (r)-4-benzyl-2-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one

3. (2r)-4-benzyl-2-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}morpholin-3-one

4. (r)-4-benzyl-2-((r)-1-(3,5-bis(trifluoromethyl)-phenyl)ethoxy)morpholin-3-one

5. (2r)-4-benzyl-2-((1r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one

6. Schembl23421475

7. Dtxsid90436990

8. Bcp21361

9. Mfcd22494935

10. Akos015999459

11. Am84892

12. Mg-0724

13. (r)-2-((r)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-benzylmorpholin-3-one

14. Cs-0450624

15. 3-morpholinone, 2-[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(phenylmethyl)-, (2r)-

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 447.4 g/mol
Molecular Formula C21H19F6NO3
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area38.8
Heavy Atom Count31
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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