Monomers

1-(3-(Trifluoromethyl)phenyl)-1h-pyrrole-2,5-dione

Identifiers

IUPAC name
1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
InchI
InChI=1S/C11H6F3NO2/c12-11(13,14)7-2-1-3-8(6-7)15-9(16)4-5-10(15)17/h1-6H
InchI Key
DQGGHYHHYCKIMR-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1cccc(c1)C(F)(F)F
Canonical SMILES
C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(F)(F)F
Isomeric SMILES
C1=CC(=CC(=C1)N2C(=O)C=CC2=O)C(F)(F)F
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H6F3NO2
Heavy Atom Count
17
Molecular Weight
241.168
Exact Molecular Weight
241.0351
Valence Electrons
88
Radical Electrons
0
tPSA
37.38
MolLogP
2.1348
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.5449   -2.5693    0.2967 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630   -1.4304    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5182   -1.3227   -0.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8426   -0.0646   -0.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6164    0.7004   -0.2672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5106    1.9181   -0.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214   -0.1699    0.0875 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1599    0.2583    0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1662    1.5383    0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4173    2.0651    0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4807    1.2349    0.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2422   -0.1078   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9163   -0.5552   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4074   -1.0162   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5891   -1.9084    0.6799 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9095   -1.7184   -1.5116 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5037   -0.2998   -0.6495 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1424   -2.2311   -0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    0.2935   -0.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177    2.2172    0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6027    3.1143    0.8133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5155    1.5922    0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7378   -1.5384   -0.3417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
  7  2  1  0
 13  8  1  0
  3 18  1  0
  4 19  1  0
  9 20  1  0
 10 21  1  0
 11 22  1  0
 13 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers