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tert-butyl 6-hydroxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-hydroxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane-2-carboxylate

CAS: 1251923-04-2

Formula: C12H18F3NO3

SMILES: CC(C)(C)OC(=O)N1CC2(C1)CC(O)(C2)C(F)(F)F

IUPAC: tert-butyl 6-hydroxy-6-(trifluoromethyl)-2-azaspiro[3.3]heptane-2-carboxylate

InChI: InChI=1S/C12H18F3NO3/c1-9(2,3)19-8(17)16-6-10(7-16)4-11(18,5-10)12(13,14)15/h18H,4-7H2,1-3H3

Composition: C (51.24%), H (6.45%), F (20.26%), N (4.98%), O (17.06%)

Molar Mass: 281.275

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 281.123877933
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HKDQMAXFXVWMMK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.15
Topological Polar Surface Area 49.77
Polarizability 23.43
Ring Count 2
Rotatable Bond Count 3

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