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3,3,3-trifluoro-N-{1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)amino]propan-2-yl}-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-{1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)amino]propan-2-yl}-2-(trifluoromethyl)propanamide

Formula: C14H10F12N2O2

SMILES: COC1=CC=C(NC(NC(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C=C1

IUPAC: 3,3,3-trifluoro-N-{1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)amino]propan-2-yl}-2-(trifluoromethyl)propanamide

InChI: InChI=1S/C14H10F12N2O2/c1-30-7-4-2-6(3-5-7)27-12(13(21,22)23,14(24,25)26)28-9(29)8(10(15,16)17)11(18,19)20/h2-5,8,27H,1H3,(H,28,29)

Composition: C (36.07%), H (2.16%), F (48.90%), N (6.01%), O (6.86%)

Molar Mass: 466.227

Atom Count: 40

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 466.055065526
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey YUJTUOSUPUZNCM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.92
Topological Polar Surface Area 50.36
Polarizability 27.22
Ring Count 1
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H10F12N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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