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tert-butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate

tert-butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate

CAS: 1434141-81-7

Formula: C9H15F2NO3

SMILES: CC(C)(C)OC(=O)N1CC(O)C(F)(F)C1

IUPAC: tert-butyl 3,3-difluoro-4-hydroxypyrrolidine-1-carboxylate

InChI: InChI=1/C9H15F2NO3/c1-8(2,3)15-7(14)12-4-6(13)9(10,11)5-12/h6,13H,4-5H2,1-3H3

Composition: C (48.43%), H (6.77%), F (17.02%), N (6.27%), O (21.50%)

Molar Mass: 223.22

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 223.101999673
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MKRJRMARSARGCB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.35
Topological Polar Surface Area 49.77
Polarizability 18.82
Ring Count 1
Rotatable Bond Count 2

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