Chemical ID: 6145961

Cc1c(c2c(n1c3cccc(c3)C(F)(F)F)CCCC2)c4ccccc4
Chemical ID:
6145961
Name [?]:
2-methyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindole
SMILES [?]:
Cc1c(c2c(n1c3cccc(c3)C(F)(F)F)CCCC2)c4ccccc4
InChi [?]:
InChI=1/C22H20F3N/c1-15-21(16-8-3-2-4-9-16)19-12-5-6-13-20(19)26(15)18-11-7-10-17(14-18)22(23,24)25/h2-4,7-11,14H,5-6,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,19,18,9,22,26,10,8,20,17,12,2,21,11,7,4,5,3,13,14,15,16,6/E:(3,4)(8,9)(23,24,25)/rA:26nCCCCCNCCCCCCCFFFCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s13;s13;s5;s17;s18;s4s19;s3;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20F3N
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3635
Area:529.755
Solvation:-1.88035
Coulombic:-26.8122
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:355.396
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:6.46
LogP (Chemaxon):6.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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