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Chemical ID: 5235581
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
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Experimental Annotations
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Descriptor Annotations
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