tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate

CAS: 1260852-42-3

Formula: C10H17F2NO3

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

IUPAC: tert-butyl 3,3-difluoro-4-(hydroxymethyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C10H17F2NO3/c1-9(2,3)16-8(15)13-4-7(5-14)10(11,12)6-13/h7,14H,4-6H2,1-3H3

Composition: C (50.63%), H (7.22%), F (16.02%), N (5.90%), O (20.23%)

Molar Mass: 237.247

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	237.117649737
Formal Charge	0
FSP3	0.9
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OEMRLSZFXVVDLS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.24
Topological Polar Surface Area	49.77
Polarizability	20.62
Ring Count	1
Rotatable Bond Count	3

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