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benzyl 4-ethynyl-4-fluoropiperidine-1-carboxylate

benzyl 4-ethynyl-4-fluoropiperidine-1-carboxylate

CAS: 495415-74-2

Formula: C15H16FNO2

SMILES: FC1(CCN(CC1)C(=O)OCC1=CC=CC=C1)C#C

IUPAC: benzyl 4-ethynyl-4-fluoropiperidine-1-carboxylate

InChI: InChI=1S/C15H16FNO2/c1-2-15(16)8-10-17(11-9-15)14(18)19-12-13-6-4-3-5-7-13/h1,3-7H,8-12H2

Composition: C (68.95%), H (6.17%), F (7.27%), N (5.36%), O (12.25%)

Molar Mass: 261.296

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 261.116506922
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GUSZYKICGPJATC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70
Topological Polar Surface Area 29.54
Polarizability 26.68
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 495415-74-2 $177.80-$730.12$177.80$283.73$472.88$730.12
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