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
   -1.9204    2.2572   -0.3331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3674    1.0828   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6909    0.6624    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6872   -0.6401    0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3556   -1.1685    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840   -2.3865    0.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5319   -0.0966   -0.0648 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1349   -0.0328   -0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2743    0.3621   -1.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    0.4898   -1.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5530    0.2372   -0.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   -0.1622    0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8346   -0.2937    0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022   -0.3913    1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900   -1.0251    2.4409 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396   -1.0625    0.9665 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6439    0.8941    1.8055 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5522    1.3713    0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5761   -1.2128    0.7523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4887    0.5527   -2.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8788    0.8115   -2.9055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139    0.3396   -1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336   -0.5886    1.6319 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