N-(2-{[2,5-bis(2,2,2-trifluoroethoxy)phenyl]formamido}ethyl)-3-methylbutanamide

N-(2-{[2,5-bis(2,2,2-trifluoroethoxy)phenyl]formamido}ethyl)-3-methylbutanamide

CAS: 338404-50-5

Formula: C18H22F6N2O4

SMILES: CC(C)CC(=O)NCCNC(=O)C1=C(OCC(F)(F)F)C=CC(OCC(F)(F)F)=C1

IUPAC: N-(2-{[2,5-bis(2,2,2-trifluoroethoxy)phenyl]formamido}ethyl)-3-methylbutanamide

InChI: InChI=1S/C18H22F6N2O4/c1-11(2)7-15(27)25-5-6-26-16(28)13-8-12(29-9-17(19,20)21)3-4-14(13)30-10-18(22,23)24/h3-4,8,11H,5-7,9-10H2,1-2H3,(H,25,27)(H,26,28)

Composition: C (48.65%), H (4.99%), F (25.65%), N (6.30%), O (14.40%)

Molar Mass: 444.374

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	444.148376174
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IGEABFIWFCLESG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.03
Topological Polar Surface Area	76.66
Polarizability	35.04
Ring Count	1
Rotatable Bond Count	12

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