1-{[2-bromo-5-(trifluoromethyl)phenyl]methyl}piperidine

1-{[2-bromo-5-(trifluoromethyl)phenyl]methyl}piperidine

Formula: C13H15BrF3N

SMILES: FC(F)(F)C1=CC(CN2CCCCC2)=C(Br)C=C1

IUPAC: 1-{[2-bromo-5-(trifluoromethyl)phenyl]methyl}piperidine

InChI: InChI=1S/C13H15BrF3N/c14-12-5-4-11(13(15,16)17)8-10(12)9-18-6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2

Composition: C (48.47%), H (4.69%), Br (24.80%), F (17.69%), N (4.35%)

Molar Mass: 322.169

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	321.033997
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KFNWEIPOFYZEMJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.34
Topological Polar Surface Area	3.24
Polarizability	26.15
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H15BrF3N		Quote Only