(2R,3S)-3-fluoropyrrolidine-2-carboxylic acid; trifluoroacetic acid

(2R,3S)-3-fluoropyrrolidine-2-carboxylic acid; trifluoroacetic acid

CAS: 926910-60-3

Formula: C7H9F4NO4

SMILES: OC(=O)C(F)(F)F.OC(=O)[C@H]1NCC[C@@H]1F

IUPAC: (2R,3S)-3-fluoropyrrolidine-2-carboxylic acid; trifluoroacetic acid

InChI: InChI=1S/C5H8FNO2.C2HF3O2/c6-3-1-2-7-4(3)5(8)9;3-2(4,5)1(6)7/h3-4,7H,1-2H2,(H,8,9);(H,6,7)/t3-,4-;/m0./s1

Composition: C (34.02%), H (3.67%), F (30.75%), N (5.67%), O (25.89%)

Molar Mass: 247.146

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	247.046770426
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZZPHIHKPQOQEKO-MMALYQPHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	27.69
Topological Polar Surface Area	49.33
Polarizability	11.14
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	926910-60-3		$312.73-$1,288.74$312.73$500.62$860.00$1,288.74