1-(3,4-difluorophenyl)piperidine-4-carboxylic acid

1-(3,4-difluorophenyl)piperidine-4-carboxylic acid

CAS: 1059536-63-8

Formula: C12H13F2NO2

SMILES: OC(=O)C1CCN(CC1)C1=CC=C(F)C(F)=C1

IUPAC: 1-(3,4-difluorophenyl)piperidine-4-carboxylic acid

InChI: InChI=1S/C12H13F2NO2/c13-10-2-1-9(7-11(10)14)15-5-3-8(4-6-15)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)

Composition: C (59.75%), H (5.43%), F (15.75%), N (5.81%), O (13.26%)

Molar Mass: 241.238

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.091434989
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BFKHEURNHFLLRN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.3
Topological Polar Surface Area	40.54
Polarizability	21.78
Ring Count	2
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1059536-63-8		$428.26-$657.69$428.26$428.26$524.40$524.40$657.69$657.69