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
    1.6776   -0.2974    2.4220 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917   -0.2584    1.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427   -0.2697    1.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8383   -0.2028   -0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383   -0.1609   -0.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2438   -0.0980   -2.1498 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4707   -0.1993    0.0731 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -0.2465   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -1.3626   -0.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6966   -1.4830   -1.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5789   -0.4981   -0.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1720    0.6339   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8211    0.7537    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1600    1.6816    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8462    1.2689    1.3549 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5309    2.8654    0.5149 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0896    1.8036   -0.8035 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690   -0.3395    1.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8053   -0.1766   -0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3755   -2.1097   -1.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0237   -2.3460   -1.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6035   -0.6018   -1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375    1.6435    0.6988 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