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
   -1.7964    1.1326    2.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2378    0.7324    1.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5992    0.9713    0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7231    0.4007   -0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4278   -0.2583   -0.9795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1927   -0.9056   -2.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5258   -0.0448    0.0807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1502   -0.4190    0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2954   -1.4865    0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6563   -1.7731    1.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908   -0.9657    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1742    0.1310   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.3638   -0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1699    1.0426   -0.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    1.8907   -1.7813 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9151    0.2588   -1.7908 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9371    1.7316   -0.0856 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4110    1.5374    1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6006    0.3913   -1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4231   -2.1536    1.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9842   -2.6411    1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6660   -1.1699    0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656    1.2334   -0.9510 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