Chemical ID: 6462865

COc1ccc(cc1)OC(=O)c2ccc(cc2)C(F)(F)F
Chemical ID:
6462865
Name [?]:
(4-methoxyphenyl) 4-(trifluoromethyl)benzoate
SMILES [?]:
COc1ccc(cc1)OC(=O)c2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C15H11F3O3/c1-20-12-6-8-13(9-7-12)21-14(19)10-2-4-11(5-3-10)15(16,17)18/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,14,16,4,8,5,7,12,15,3,6,10,18,19,20,21,11,2,9/E:(2,3)(4,5)(6,7)(8,9)(16,17,18)/rA:21nCOCCCCCCOCOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F3O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.97373
Area:463.342
Solvation:-3.60983
Coulombic:-46.6797
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:296.241
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):3.91

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue