Chemical ID: 6626065

Cc1ccc(cc1)c2cc([nH]n2)C(F)(F)F
Chemical ID:
6626065
Name [?]:
3-(p-tolyl)-5-(trifluoromethyl)-1H-pyrazole
SMILES [?]:
Cc1ccc(cc1)c2cc([nH]n2)C(F)(F)F
InChi [?]:
InChI=1/C11H9F3N2/c1-7-2-4-8(5-3-7)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,9,2,5,8,10,13,14,15,16,12,11/E:(2,3)(4,5)(12,13,14)/rA:16nCCCCCCCCCCNNCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9F3N2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.19408
Area:373.745
Solvation:-2.14955
Coulombic:-30.1291
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.198
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.02
LogP (Chemaxon):3.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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