(2R)-4-benzyl-2-[(1R)-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

CAS: 287930-75-0

Formula: C21H19F6NO3

SMILES: C[C@@H](O[C@H]1OCCN(CC2=CC=CC=C2)C1=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

IUPAC: (2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one

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

Composition: C (56.38%), H (4.28%), F (25.48%), N (3.13%), O (10.73%)

Molar Mass: 447.377

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	447.126912454
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KVPJNHLVRGUYGQ-BFUOFWGJSA-N
Lipinski's Rule of Five
Molar Refractivity	100.28
Topological Polar Surface Area	38.77
Polarizability	37.08
Ring Count	3
Rotatable Bond Count	7

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