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Chemical ID: 4168330
Chemical ID:
4168330
Name [?]:
5-methyl-2-(1,2,2,2-tetrafluoroethyl)-3H-benzoimidazole
SMILES [?]:
Cc1ccc2c(c1)[nH]c(n2)C(C(F)(F)F)F
InChi [?]:
InChI=1/C10H8F4N2/c1-5-2-3-6-7(4-5)16-9(15-6)8(11)10(12,13)14/h2-4,8H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,5,6,11,9,12,16,13,14,15,10,8/E:(12,13,14)/rA:16cCCCCCCCNCNCCFFFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;s12;s12;s12;s11;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8F4N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.10952 |
Area: | 355.074 |
Solvation: | -2.76733 |
Coulombic: | -39.6414 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.178 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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