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Chemical ID: 6400668
Chemical ID:
6400668
Name [?]:
2,2,2-trifluoro-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
COc1cccc(c1)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C9H8F3NO2/c1-15-7-4-2-3-6(5-7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,7,3,10,12,13,14,15,9,11,2/E:(10,11,12)/rA:15nCOCCCCCCNCOCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8F3NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.71072 |
Area: | 355.016 |
Solvation: | -3.16468 |
Coulombic: | -49.8026 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.161 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.89 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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