3-(piperidine-1-carbonyl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine

3-(piperidine-1-carbonyl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine

CAS: 339106-90-0

Formula: C15H17F3N2OS

SMILES: FC(F)=C(F)CCSC1=NC=CC=C1C(=O)N1CCCCC1

IUPAC: 3-(piperidine-1-carbonyl)-2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine

InChI: InChI=1S/C15H17F3N2OS/c16-12(13(17)18)6-10-22-14-11(5-4-7-19-14)15(21)20-8-2-1-3-9-20/h4-5,7H,1-3,6,8-10H2

Composition: C (54.53%), H (5.19%), F (17.25%), N (8.48%), O (4.84%), S (9.70%)

Molar Mass: 330.37

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	330.101368838
Formal Charge	0
FSP3	0.47
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MMNUQXFVUHCKBU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	93.32
Topological Polar Surface Area	33.2
Polarizability	30.22
Ring Count	2
Rotatable Bond Count	5

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	339106-90-0		$51.35-$86.31$51.35$63.37$86.31