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
    1.6916    0.8572    2.1366 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1980    0.1769    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372   -0.3908    1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6976   -1.0329    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4487   -0.9175   -0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374   -1.4120   -1.9015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -0.1623   -0.0234 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1898    0.2529   -0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0926    1.4164   -0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3874    1.8740   -1.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4255    1.0865   -0.6809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721   -0.0884    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8641   -0.4969    0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3352   -0.8575    0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0551   -0.1073    1.4491 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2177   -1.1896   -0.4826 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8514   -2.0057    1.1220 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3013   -0.3048    1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6138   -1.5660   -0.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7016    2.0494   -1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5714    2.8097   -1.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4262    1.4383   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7297   -1.4296    0.7468 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