Chemical ID: 6383324

c1cc(nn2c1nnc2C(C(F)(F)F)(F)F)Cl
Chemical ID:
6383324
Name [?]:
3-chloro-9-(1,1,2,2,2-pentafluoroethyl)-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1cc(nn2c1nnc2C(C(F)(F)F)(F)F)Cl
InChi [?]:
InChI=1/C7H2ClF5N4/c8-3-1-2-4-14-15-5(17(4)16-3)6(9,10)7(11,12)13/h1-2H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,9,10,11,17,15,16,12,13,14,7,8,4,5/E:(9,10)(11,12,13)/rA:17nCCCNNCNNCCCFFFFFCl/rB:d1;s2;d3;s4;s1s5;d6;s7;s5d8;s9;s10;s11;s11;s11;s10;s10;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H2ClF5N4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.83988
Area:366.869
Solvation:-2.33185
Coulombic:-41.6561
Bond Count [?]
All:18
Single:14
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:272.562
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.6
LogP (Chemaxon):2.72

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Descriptor Annotations

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