methyl (3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride

methyl (3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride

CAS: 1212115-75-7

Formula: C7H11ClF3NO2

SMILES: Cl.COC(=O)[C@H]1CNC[C@@H]1C(F)(F)F

IUPAC: methyl (3R,4R)-4-(trifluoromethyl)pyrrolidine-3-carboxylate hydrochloride

InChI: InChI=1S/C7H10F3NO2.ClH/c1-13-6(12)4-2-11-3-5(4)7(8,9)10;/h4-5,11H,2-3H2,1H3;1H/t4-,5-;/m0./s1

Composition: C (35.99%), H (4.75%), Cl (15.17%), F (24.40%), N (6.00%), O (13.70%)

Molar Mass: 233.62

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	233.0430408
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RQQYZTONTAQRGS-FHAQVOQBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.34
Topological Polar Surface Area	38.33
Polarizability	14.8
Ring Count	1
Rotatable Bond Count	3

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