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tert-butyl 3-(fluoromethyl)piperazine-1-carboxylate

tert-butyl 3-(fluoromethyl)piperazine-1-carboxylate

CAS: 1240595-05-4

Formula: C10H19FN2O2

SMILES: CC(C)(C)OC(=O)N1CCNC(CF)C1

IUPAC: tert-butyl 3-(fluoromethyl)piperazine-1-carboxylate

InChI: InChI=1/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-7H2,1-3H3

Composition: C (55.03%), H (8.77%), F (8.70%), N (12.83%), O (14.66%)

Molar Mass: 218.272

Atom Count: 34

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 218.143056023
Formal Charge 0
FSP3 0.9
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey WRGHYGKAWWZCLN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.71
Topological Polar Surface Area 41.57
Polarizability 21.61
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1240595-05-4 $207.00-$5,175.00$207.00$299.00$483.00$851.00$1,587.00$5,175.00
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