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tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

CAS: 550371-74-9

Formula: C11H18F3NO3

SMILES: CC(C)(C)OC(=O)N1CCC(O)(CC1)C(F)(F)F

IUPAC: tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

InChI: InChI=1S/C11H18F3NO3/c1-9(2,3)18-8(16)15-6-4-10(17,5-7-15)11(12,13)14/h17H,4-7H2,1-3H3

Composition: C (49.07%), H (6.74%), F (21.17%), N (5.20%), O (17.83%)

Molar Mass: 269.264

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 269.123877933
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey BPCANPVVCVCTOJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.75
Topological Polar Surface Area 49.77
Polarizability 22.32
Ring Count 1
Rotatable Bond Count 3

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Shanghai AQ BioPharma Co., Ltd.
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Purity LeadTime CAS PacketSize UnitPrice
95% <8 Days 550371-74-9 $242.86-$3,497.14$242.86$728.57$1,165.71$2,185.71$3,497.14
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96% <2 Days 550371-74-9 $112.70-$917.70$112.70$126.50$143.75$171.35$227.70$917.70
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