4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid hydrochloride

4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid hydrochloride

Formula: C12H13ClF3NO2

SMILES: Cl.OC(=O)C1CNCC1C1=CC=C(C=C1)C(F)(F)F

IUPAC: 4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid hydrochloride

InChI: InChI=1/C12H12F3NO2.ClH/c13-12(14,15)8-3-1-7(2-4-8)9-5-16-6-10(9)11(17)18;/h1-4,9-10,16H,5-6H2,(H,17,18);1H

Composition: C (48.74%), H (4.43%), Cl (11.99%), F (19.28%), N (4.74%), O (10.82%)

Molar Mass: 295.69

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	295.0586909
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	KHEKJMKAVRTDKQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.86
Topological Polar Surface Area	49.33
Polarizability	22.04
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H13ClF3NO2		Quote Only