ChemDB: Chemical Search
Download
Chemical ID: 6674606
Chemical ID:
6674606
Name [?]:
[3-(trifluoromethyl)phenyl] (2,5-dimethylphenyl)aminoformate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)Oc2cccc(c2)C(F)(F)F)C
InChi [?]:
InChI=1/C16H14F3NO2/c1-10-6-7-11(2)14(8-10)20-15(21)22-13-5-3-4-12(9-13)16(17,18)19/h3-9H,1-2H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,14,15,13,3,4,7,17,2,5,16,12,6,9,18,19,20,21,8,10,11/E:(17,18,19)/rA:22nCCCCCCCNCOOCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14F3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.80177 |
Area: | 480.854 |
Solvation: | -2.21958 |
Coulombic: | -53.0655 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 309.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.6 |
LogP (Chemaxon): | 5.5 |
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 |
---|