ChemDB: Chemical Search
Download
Chemical ID: 4778295
Chemical ID:
4778295
Name [?]:
ethyl 2-[4-(trifluoromethyl)benzoyl]aminoacetate
SMILES [?]:
CCOC(=O)CNC(=O)c1ccc(cc1)C(F)(F)F
InChi [?]:
InChI=1/C12H12F3NO3/c1-2-19-10(17)7-16-11(18)8-3-5-9(6-4-8)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,6,10,13,4,8,16,17,18,19,7,5,9,3/E:(3,4)(5,6)(13,14,15)/rA:19nCCOCOCNCOCCCCCCCFFF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12F3NO3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21478 |
Area: | 455.716 |
Solvation: | -3.17811 |
Coulombic: | -59.9288 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 275.224 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.48 |
LogP (Chemaxon): | 1.74 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|