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tert-butyl 4,4-difluoro-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate

tert-butyl 4,4-difluoro-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate

CAS: 1823389-65-6

Formula: C11H19F2NO3

SMILES: CC(C)(C)OC(=O)N1CC(F)(F)CC1(C)CO

IUPAC: tert-butyl 4,4-difluoro-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate

InChI: InChI=1/C11H19F2NO3/c1-9(2,3)17-8(16)14-6-11(12,13)5-10(14,4)7-15/h15H,5-7H2,1-4H3

Composition: C (52.58%), H (7.62%), F (15.12%), N (5.57%), O (19.10%)

Molar Mass: 251.274

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 251.133299802
Formal Charge 0
FSP3 0.91
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QNMWEMLYJCKYCQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.44
Topological Polar Surface Area 49.77
Polarizability 22.42
Ring Count 1
Rotatable Bond Count 3

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