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Chemical ID: 4316455
Chemical ID:
4316455
Name [?]:
2,2,2-trifluoro-N-[2,4,6-trimethyl-3-(2,2,2-trifluoroacetyl)amino-phenyl]-acetamide
SMILES [?]:
Cc1cc(c(c(c1NC(=O)C(F)(F)F)C)NC(=O)C(F)(F)F)C
InChi [?]:
InChI=1/C13H12F6N2O2/c1-5-4-6(2)9(21-11(23)13(17,18)19)7(3)8(5)20-10(22)12(14,15)16/h4H,1-3H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,15,3,2,4,6,7,5,9,17,11,19,12,13,14,20,21,22,8,16,10,18/E:(1,2)(5,6)(8,9)(10,11)(12,13)(14,15,16,17,18,19)(20,21)(22,23)/gE:(1,2)/rA:23nCCCCCCCNCOCFFFCNCOCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s11;s11;s6;s5;s16;d17;s17;s19;s19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12F6N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04348 |
Area: | 460.229 |
Solvation: | -3.46225 |
Coulombic: | -83.9663 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 342.237 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.61 |
LogP (Chemaxon): | 1.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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