1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

CAS: 1260889-66-4

Formula: C14H16F3NO2

SMILES: CC1CN(CC2=CC=CC=C2)CC1(C(O)=O)C(F)(F)F

IUPAC: 1-benzyl-4-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

InChI: InChI=1/C14H16F3NO2/c1-10-7-18(8-11-5-3-2-4-6-11)9-13(10,12(19)20)14(15,16)17/h2-6,10H,7-9H2,1H3,(H,19,20)

Composition: C (58.53%), H (5.61%), F (19.84%), N (4.88%), O (11.14%)

Molar Mass: 287.282

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	287.113313248
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GPAPGABTUHVVMV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.13
Topological Polar Surface Area	40.54
Polarizability	25.67
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1260889-66-4		$2,200.00-$5,040.00$2,200.00$3,300.00$5,040.00