1-methanesulfonyl-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

1-methanesulfonyl-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

Formula: C13H17F3N2O2S

SMILES: CS(=O)(=O)N1CCN(CC2=CC=C(C=C2)C(F)(F)F)CC1

IUPAC: 1-methanesulfonyl-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

InChI: InChI=1S/C13H17F3N2O2S/c1-21(19,20)18-8-6-17(7-9-18)10-11-2-4-12(5-3-11)13(14,15)16/h2-5H,6-10H2,1H3

Composition: C (48.44%), H (5.32%), F (17.68%), N (8.69%), O (9.93%), S (9.95%)

Molar Mass: 322.35

Atom Count: 38

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.096283458
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NFWPKBQXNPUNCP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.5
Topological Polar Surface Area	40.62
Polarizability	28.65
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H17F3N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00