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(2R)-2-{bis[3,5-bis(trifluoromethyl)phenyl][(tert-butyldimethylsilyl)oxy]methyl}pyrrolidine

(2R)-2-{bis[3,5-bis(trifluoromethyl)phenyl][(tert-butyldimethylsilyl)oxy]methyl}pyrrolidine

CAS: 1146629-74-4

Formula: C27H29F12NOSi

SMILES: CC(C)(C)[Si](C)(C)OC([C@H]1CCCN1)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

IUPAC: (2R)-2-{bis[3,5-bis(trifluoromethyl)phenyl][(tert-butyldimethylsilyl)oxy]methyl}pyrrolidine

InChI: InChI=1S/C27H29F12NOSi/c1-22(2,3)42(4,5)41-23(21-7-6-8-40-21,15-9-17(24(28,29)30)13-18(10-15)25(31,32)33)16-11-19(26(34,35)36)14-20(12-16)27(37,38)39/h9-14,21,40H,6-8H2,1-5H3/t21-/m1/s1

Composition: C (50.70%), H (4.57%), F (35.64%), N (2.19%), O (2.50%), Si (4.39%)

Molar Mass: 639.601

Atom Count: 71

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 639.182679049
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZLULOCHUEDLXQY-OAQYLSRUSA-N
Lipinski's Rule of Five
Molar Refractivity 130.93
Topological Polar Surface Area 21.26
Polarizability 49.54
Ring Count 3
Rotatable Bond Count 10

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