1-{[2-(trifluoromethyl)phenyl]methyl}piperazine

1-{[2-(trifluoromethyl)phenyl]methyl}piperazine

CAS: 94022-97-6

Formula: C12H15F3N2

SMILES: FC(F)(F)C1=C(CN2CCNCC2)C=CC=C1

IUPAC: 1-{[2-(trifluoromethyl)phenyl]methyl}piperazine

InChI: InChI=1S/C12H15F3N2/c13-12(14,15)11-4-2-1-3-10(11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2

Composition: C (59.01%), H (6.19%), F (23.33%), N (11.47%)

Molar Mass: 244.261

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.11873298
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MJBOPIADUICXHW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.33
Topological Polar Surface Area	15.27
Polarizability	22.87
Ring Count	2
Rotatable Bond Count	3

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