methyl({2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl})amine hydrochloride

methyl({2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl})amine hydrochloride

CAS: 1609403-75-9

Formula: C6H9ClF3N3O

SMILES: Cl.CNCCC1=NOC(=N1)C(F)(F)F

IUPAC: methyl({2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl})amine hydrochloride

InChI: InChI=1S/C6H8F3N3O.ClH/c1-10-3-2-4-11-5(13-12-4)6(7,8)9;/h10H,2-3H2,1H3;1H

Composition: C (31.12%), H (3.92%), Cl (15.31%), F (24.61%), N (18.14%), O (6.91%)

Molar Mass: 231.6

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	231.0386241
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AHLIVPLLYRQBME-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.58
Topological Polar Surface Area	50.95
Polarizability	13.95
Ring Count	1
Rotatable Bond Count	4

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95%	<4 Days	1609403-75-9		$177.10-$708.40$177.10$708.40