Chemical ID: 4373815

COc1ccc(cc1)OCCCOc2cccc(c2)C(F)(F)F
Chemical ID:
4373815
Name [?]:
1-methoxy-4-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
SMILES [?]:
COc1ccc(cc1)OCCCOc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C17H17F3O3/c1-21-14-6-8-15(9-7-14)22-10-3-11-23-16-5-2-4-13(12-16)17(18,19)20/h2,4-9,12H,3,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,11,17,15,4,8,5,7,10,12,19,18,3,6,14,20,21,22,23,2,9,13/E:(6,7)(8,9)(18,19,20)/rA:23nCOCCCCCCOCCCOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17F3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.58737
Area:524.298
Solvation:-5.52007
Coulombic:-41.1764
Bond Count [?]
All:24
Single:18
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:326.31
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.86
LogP (Chemaxon):4.09

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