Chemical ID: 5562189

Cc1cccc(c1C)N2CCN(CC2)C(=O)c3ccc(cc3)C(F)(F)F
Chemical ID:
5562189
Name [?]:
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]-methanone
SMILES [?]:
Cc1cccc(c1C)N2CCN(CC2)C(=O)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C20H21F3N2O/c1-14-4-3-5-18(15(14)2)24-10-12-25(13-11-24)19(26)16-6-8-17(9-7-16)20(21,22)23/h3-9H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,4,3,5,18,22,19,21,10,14,11,13,2,7,17,20,6,15,23,24,25,26,9,12,16/E:(6,7)(8,9)(10,11)(12,13)(21,22,23)/rA:26nCCCCCCCCNCCNCCCOCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21F3N2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4372
Area:542.484
Solvation:-3.1249
Coulombic:-43.7298
Bond Count [?]
All:28
Single:21
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:362.389
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.97
LogP (Chemaxon):4.96

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