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Chemical ID: 4115194
Chemical ID:
4115194
Name [?]:
2-fluoro-6-(trifluoromethyl)benzonitrile
SMILES [?]:
c1cc(c(c(c1)F)C#N)C(F)(F)F
InChi [?]:
InChI=1/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,6,8,4,3,5,10,7,11,12,13,9/E:(10,11,12)/rA:13nCCCCCCFCNCFFF/rB:s1;d2;s3;d4;d1s5;s5;s4;t8;s3;s10;s10;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H3F4N |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.54531 |
Area: | 301.268 |
Solvation: | -2.98639 |
Coulombic: | -24.0675 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 189.11 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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