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Chemical ID: 4264926
Chemical ID:
4264926
Name [?]:
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1cccc(c1)C(F)(F)F
InChi [?]:
InChI=1/C12H14F3NO/c1-11(2,3)10(17)16-9-6-4-5-8(7-9)12(13,14)15/h4-7H,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,9,13,12,8,5,2,14,15,16,17,7,6/E:(1,2,3)(13,14,15)/rA:17nCCCCCONCCCCCCCFFF/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s12;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H14F3NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.68341 |
Area: | 398.928 |
Solvation: | -2.2898 |
Coulombic: | -40.0541 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.241 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.95 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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