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

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

CAS: 623165-99-1

Formula: C11H18F3NO2

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

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

InChI: InChI=1S/C11H18F3NO2/c1-10(2,3)17-9(16)15-6-4-8(5-7-15)11(12,13)14/h8H,4-7H2,1-3H3

Composition: C (52.17%), H (7.16%), F (22.50%), N (5.53%), O (12.63%)

Molar Mass: 253.265

Atom Count: 35

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 253.128963313
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey SBZQUPJLKFBVJY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.24
Topological Polar Surface Area 29.54
Polarizability 21.6
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 623165-99-1 $340.00-$4,896.00$340.00$1,020.00$1,632.00$3,060.00$4,896.00
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