tert-butyl (3R,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl (3R,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate

CAS: 1420537-07-0

Formula: C16H22FNO3

SMILES: CC(C)(C)OC(=O)N1C[C@@H](CO)[C@@H](C1)C1=CC(F)=CC=C1

IUPAC: tert-butyl (3R,4S)-3-(3-fluorophenyl)-4-(hydroxymethyl)pyrrolidine-1-carboxylate

InChI: InChI=1S/C16H22FNO3/c1-16(2,3)21-15(20)18-8-12(10-19)14(9-18)11-5-4-6-13(17)7-11/h4-7,12,14,19H,8-10H2,1-3H3/t12-,14-/m0/s1

Composition: C (65.07%), H (7.51%), F (6.43%), N (4.74%), O (16.25%)

Molar Mass: 295.354

Atom Count: 43

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	295.158371735
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PFQATTVCUBACQW-JSGCOSHPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.31
Topological Polar Surface Area	49.77
Polarizability	30.23
Ring Count	2
Rotatable Bond Count	4

Suppliers

MATRIX SCIENTIFIC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1420537-07-0		$336.89$336.89