Chemical ID: 4348765

CC(=O)C(=CNc1cc(ccc1Cl)C(F)(F)F)C(=O)C
Chemical ID:
4348765
Name [?]:
3-[[2-chloro-5-(trifluoromethyl)phenyl]aminomethylene]pentane-2,4-dione
SMILES [?]:
CC(=O)C(=CNc1cc(ccc1Cl)C(F)(F)F)C(=O)C
InChi [?]:
InChI=1/C13H11ClF3NO2/c1-7(19)10(8(2)20)6-18-12-5-9(13(15,16)17)3-4-11(12)14/h3-6,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,10,11,8,5,2,18,9,4,12,7,14,13,15,16,17,6,3,19/E:(1,2)(7,8)(15,16,17)(19,20)/rA:20nCCOCCNCCCCCCClCFFFCOC/rB:s1;d2;s2;d4;s5;s6;s7;d8;s9;d10;d7s11;s12;s9;s14;s14;s14;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11ClF3NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.66112
Area:465.475
Solvation:-3.97577
Coulombic:-43.7342
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.68
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.25
LogP (Chemaxon):3.68

Name Annotations

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Descriptor Annotations

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