Chemical ID: 5235581

c1ccn2c(c1)c(c(n2)F)C(F)(F)F
Chemical ID:
5235581
Name [?]:
8-fluoro-7-(trifluoromethyl)-1,9-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1ccn2c(c1)c(c(n2)F)C(F)(F)F
InChi [?]:
InChI=1/C8H4F4N2/c9-7-6(8(10,11)12)5-3-1-2-4-14(5)13-7/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,8,11,10,12,13,14,9,4/E:(10,11,12)/rA:14nCCCNCCCCNFCFFF/rB:s1;d2;s3;s4;d1s5;d5;s7;s4d8;s8;s7;s11;s11;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4F4N2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.41341
Area:308.811
Solvation:-2.30687
Coulombic:-27.3016
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.124
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.93
LogP (Chemaxon):3.28

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue