Chemical ID: 3993229

c1ccc(c(c1)C(F)(F)F)N2C(=O)C=CC2=O
Chemical ID:
3993229
Name [?]:
1-[2-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)N2C(=O)C=CC2=O
InChi [?]:
InChI=1/C11H6F3NO2/c12-11(13,14)7-3-1-2-4-8(7)15-9(16)5-6-10(15)17/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,15,5,4,12,16,7,8,9,10,11,13,17/E:(5,6)(9,10)(12,13,14)(16,17)/rA:17nCCCCCCCFFFNCOCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;d14;s11s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6F3NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.60754
Area:356.031
Solvation:-3.29324
Coulombic:-43.4586
Bond Count [?]
All:18
Single:12
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:241.166
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.96
LogP (Chemaxon):2.15

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Descriptor Annotations

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