Chemical ID: 6462868

Cc1ccc(c(c1)OC(=O)c2ccc(cc2)C(F)(F)F)C
Chemical ID:
6462868
Name [?]:
(2,5-dimethylphenyl) 4-(trifluoromethyl)benzoate
SMILES [?]:
Cc1ccc(c(c1)OC(=O)c2ccc(cc2)C(F)(F)F)C
InChi [?]:
InChI=1/C16H13F3O2/c1-10-3-4-11(2)14(9-10)21-15(20)12-5-7-13(8-6-12)16(17,18)19/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,3,4,12,16,13,15,7,2,5,11,14,6,9,17,18,19,20,10,8/E:(5,6)(7,8)(17,18,19)/rA:21nCCCCCCCOCOCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13F3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.49687
Area:458.889
Solvation:-1.97535
Coulombic:-40.8895
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.268
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.11
LogP (Chemaxon):5.09

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