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
   -1.4488   -0.2955    2.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    0.0244    1.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4211    0.5135    1.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7257    0.7534    0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507    0.4284   -0.7099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5181    0.5426   -1.9563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4998   -0.0249    0.1324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1693   -0.4318   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1329   -1.7094   -0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660   -2.0217   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -1.0320   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477    0.2413   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8418    0.5419   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2319    1.2802   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5935    1.3166    1.2317 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7806    2.5308   -0.4975 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2989    0.8237   -0.8272 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1158    0.6530    2.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7122    1.1007   -0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6256   -2.4987   -0.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691   -3.0170   -1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112   -1.2886   -0.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888    1.5691    0.2127 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