methyl (2S,4S)-1-benzyl-4-fluoropyrrolidine-2-carboxylate

methyl (2S,4S)-1-benzyl-4-fluoropyrrolidine-2-carboxylate

CAS: 1318130-00-5

Formula: C13H16FNO2

SMILES: COC(=O)[C@@H]1C[C@H](F)CN1CC1=CC=CC=C1

IUPAC: methyl (2S,4S)-1-benzyl-4-fluoropyrrolidine-2-carboxylate

InChI: InChI=1S/C13H16FNO2/c1-17-13(16)12-7-11(14)9-15(12)8-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12-/m0/s1

Composition: C (65.81%), H (6.80%), F (8.01%), N (5.90%), O (13.49%)

Molar Mass: 237.274

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	237.116506922
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RICJDAZEAFBQOH-RYUDHWBXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.37
Topological Polar Surface Area	29.54
Polarizability	24.48
Ring Count	2
Rotatable Bond Count	4

Suppliers

Shanghai AQ BioPharma Co., Ltd.

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Purity	LeadTime	CAS	PacketSize	UnitPrice
%	<8 Days	1318130-00-5		$57.14-$857.14$57.14$171.43$271.43$514.29$857.14