Chemical ID: 4120659

c1ccc2c(c1)ccc(n2)CC(=O)c3cccc(c3)C(F)(F)F
Chemical ID:
4120659
Name [?]:
2-(2-quinolyl)-1-[3-(trifluoromethyl)phenyl]-ethanone
SMILES [?]:
c1ccc2c(c1)ccc(n2)CC(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C18H12F3NO/c19-18(20,21)14-6-3-5-13(10-14)17(23)11-15-9-8-12-4-1-2-7-16(12)22-15/h1-10H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,16,6,15,17,3,7,8,19,11,5,14,18,9,4,12,20,21,22,23,10,13/E:(19,20,21)/rA:23nCCCCCCCCCNCCOCCCCCCCFFF/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12F3NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.11964
Area:484.088
Solvation:-3.98256
Coulombic:-32.2297
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.289
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.51
LogP (Chemaxon):4.57

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Descriptor Annotations

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