N-benzyl-2,2-bis(trifluoromethyl)butanamide

N-benzyl-2,2-bis(trifluoromethyl)butanamide

Formula: C13H13F6NO

SMILES: CCC(C(=O)NCC1=CC=CC=C1)(C(F)(F)F)C(F)(F)F

IUPAC: N-benzyl-2,2-bis(trifluoromethyl)butanamide

InChI: InChI=1S/C13H13F6NO/c1-2-11(12(14,15)16,13(17,18)19)10(21)20-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,20,21)

Composition: C (49.85%), H (4.18%), F (36.39%), N (4.47%), O (5.11%)

Molar Mass: 313.243

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	313.090133021
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	HYGLRGNZYHJTGG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.14
Topological Polar Surface Area	29.1
Polarizability	23.38
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13F6NO		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00