Chemical ID: 4516263

c1cc(cc(c1)N2C(=O)c3ccc(cc3C2=O)F)C(F)(F)F
Chemical ID:
4516263
Name [?]:
5-fluoro-2-[3-(trifluoromethyl)phenyl]-isoindoline-1,3-dione
SMILES [?]:
c1cc(cc(c1)N2C(=O)c3ccc(cc3C2=O)F)C(F)(F)F
InChi [?]:
InChI=1/C15H7F4NO2/c16-9-4-5-11-12(7-9)14(22)20(13(11)21)10-3-1-2-8(6-10)15(17,18)19/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,12,11,4,14,3,13,5,10,15,8,16,19,18,20,21,22,7,9,17/E:(17,18,19)/rA:22nCCCCCCNCOCCCCCCCOFCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s7s15;d16;s13;s3;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H7F4NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.28359
Area:434.608
Solvation:-3.58162
Coulombic:-48.3261
Bond Count [?]
All:24
Single:16
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:309.215
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.33

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Descriptor Annotations

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