Chemical ID: 5141610

Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)Cl
Chemical ID:
5141610
Name [?]:
4-chloro-6-methyl-2-(trifluoromethyl)quinoline
SMILES [?]:
Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C11H7ClF3N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,2,6,8,5,10,12,16,13,14,15,11/E:(13,14,15)/rA:16nCCCCCCCCCCNCFFFCl/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;s12;s12;s8;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7ClF3N
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.8083
Area:372.818
Solvation:-1.51215
Coulombic:-26.2926
Bond Count [?]
All:17
Single:12
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:245.628
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.2
LogP (Chemaxon):4.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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