3-(4-bromo-2-fluorophenoxymethyl)piperidine hydrochloride

3-(4-bromo-2-fluorophenoxymethyl)piperidine hydrochloride

CAS: 1185298-10-5

Formula: C12H16BrClFNO

SMILES: Cl.FC1=C(OCC2CCCNC2)C=CC(Br)=C1

IUPAC: 3-[(4-bromo-2-fluorophenoxy)methyl]piperidine hydrochloride

InChI: InChI=1/C12H15BrFNO.ClH/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9;/h3-4,6,9,15H,1-2,5,7-8H2;1H

Composition: C (44.40%), H (4.97%), Br (24.61%), Cl (10.92%), F (5.85%), N (4.31%), O (4.93%)

Molar Mass: 324.62

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	323.008783
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YITSEBQKRVTKIO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.24
Topological Polar Surface Area	21.26
Polarizability	25.35
Ring Count	2
Rotatable Bond Count	3

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