ChemDB: Chemical Search
Download
Chemical ID: 3992371
Chemical ID:
3992371
Name [?]:
2-(2-methoxyethoxy)-5-(trifluoromethyl)aniline
SMILES [?]:
COCCOc1ccc(cc1N)C(F)(F)F
InChi [?]:
InChI=1/C10H12F3NO2/c1-15-4-5-16-9-3-2-7(6-8(9)14)10(11,12)13/h2-3,6H,4-5,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,3,4,10,9,11,6,13,14,15,16,12,2,5/E:(11,12,13)/rA:16nCOCCOCCCCCCNCFFF/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s9;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12F3NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.80163 |
Area: | 392.124 |
Solvation: | -5.00148 |
Coulombic: | -49.554 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.203 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.86 |
LogP (Chemaxon): | 1.73 |
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 |
---|