Chemical ID: 6636135

Cc1cc(=O)c2c(cccc2[nH]1)C(F)(F)F
Chemical ID:
6636135
Name [?]:
2-methyl-5-(trifluoromethyl)-1H-quinolin-4-one
SMILES [?]:
Cc1cc(=O)c2c(cccc2[nH]1)C(F)(F)F
InChi [?]:
InChI=1/C11H8F3NO/c1-6-5-9(16)10-7(11(12,13)14)3-2-4-8(10)15-6/h2-5H,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,3,2,7,11,4,6,13,14,15,16,12,5/E:(12,13,14)/rA:16nCCCCOCCCCCCNCFFF/rB:s1;d2;s3;d4;s4;s6;d7;s8;d9;d6s10;s2s11;s7;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8F3NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.74609
Area:341.763
Solvation:-2.79797
Coulombic:-36.9131
Bond Count [?]
All:17
Single:12
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:227.183
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.95
LogP (Chemaxon):2.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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