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tert-butyl 2-(aminomethyl)-4,4-difluoropiperidine-1-carboxylate

tert-butyl 2-(aminomethyl)-4,4-difluoropiperidine-1-carboxylate

CAS: 1259011-99-8

Formula: C11H20F2N2O2

SMILES: CC(C)(C)OC(=O)N1CCC(F)(F)CC1CN

IUPAC: tert-butyl 2-(aminomethyl)-4,4-difluoropiperidine-1-carboxylate

InChI: InChI=1/C11H20F2N2O2/c1-10(2,3)17-9(16)15-5-4-11(12,13)6-8(15)7-14/h8H,4-7,14H2,1-3H3

Composition: C (52.79%), H (8.05%), F (15.18%), N (11.19%), O (12.78%)

Molar Mass: 250.29

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 250.149284218
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YCUWLCXEBURJHQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.91
Topological Polar Surface Area 55.56
Polarizability 23.25
Ring Count 1
Rotatable Bond Count 3

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