Chemical ID: 5803942

c1cc(cc(c1)C(F)(F)F)c2nnc3n2cc(cc3)C(F)(F)F
Chemical ID:
5803942
Name [?]:
4-(trifluoromethyl)-7-[3-(trifluoromethyl)phenyl]-6,8,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
c1cc(cc(c1)C(F)(F)F)c2nnc3n2cc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C14H7F6N3/c15-13(16,17)9-3-1-2-8(6-9)12-22-21-11-5-4-10(7-23(11)12)14(18,19)20/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,18,19,4,16,3,5,17,14,11,7,20,8,9,10,21,22,23,13,12,15/E:(15,16,17)(18,19,20)/rA:23nCCCCCCCFFFCNNCNCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s3;d11;s12;d13;s11s14;s15;d16;s17;s14d18;s17;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H7F6N3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.05444
Area:446.945
Solvation:-3.1192
Coulombic:-48.5758
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.216
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.49
LogP (Chemaxon):4.08

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