Chemical ID: 4772161

CC(=O)C(=NNc1ccc(cc1)C(F)(F)F)C(=O)C
Chemical ID:
4772161
Name [?]:
3-[4-(trifluoromethyl)phenyl]aminoiminopentane-2,4-dione
SMILES [?]:
CC(=O)C(=NNc1ccc(cc1)C(F)(F)F)C(=O)C
InChi [?]:
InChI=1/C12H11F3N2O2/c1-7(18)11(8(2)19)17-16-10-5-3-9(4-6-10)12(13,14)15/h3-6,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,9,11,8,12,2,17,10,7,4,13,14,15,16,6,5,3,18/E:(1,2)(3,4)(5,6)(7,8)(13,14,15)(18,19)/rA:19nCCOCNNCCCCCCCFFFCOC/rB:s1;d2;s2;d4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s13;s13;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11F3N2O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.05666
Area:443.303
Solvation:-4.02592
Coulombic:-43.6354
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:272.223
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.15
LogP (Chemaxon):4.29

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Descriptor Annotations

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