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tert-butyl 2-fluoro-3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate

tert-butyl 2-fluoro-3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate

Formula: C11H16FNO3

SMILES: CC(C)(C)OC(=O)N1C2CC1C(F)C(=O)C2

IUPAC: tert-butyl 2-fluoro-3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate

InChI: InChI=1/C11H16FNO3/c1-11(2,3)16-10(15)13-6-4-7(13)9(12)8(14)5-6/h6-7,9H,4-5H2,1-3H3

Composition: C (57.63%), H (7.04%), F (8.29%), N (6.11%), O (20.94%)

Molar Mass: 229.251

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 229.111421542
Formal Charge 0
FSP3 0.82
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VHANGIXPWICHSX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.05
Topological Polar Surface Area 46.61
Polarizability 21.34
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C11H16FNO3 $18,397.70-$4,597.70$3,059.00$4,597.70$18,397.70
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