Monomers

Methyl 2-(trifluoromethyl)acrylate

Identifiers

IUPAC name
methyl 2-(trifluoromethyl)prop-2-enoate
InchI
InChI=1S/C5H5F3O2/c1-3(4(9)10-2)5(6,7)8/h1H2,2H3
InchI Key
GTRBXMICTQNNIN-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C(F)(F)F
Canonical SMILES
COC(=O)C(=C)C(F)(F)F
Isomeric SMILES
COC(=O)C(=C)C(F)(F)F
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H5F3O2
Heavy Atom Count
10
Molecular Weight
154.087
Exact Molecular Weight
154.0242
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.2779
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.8060    0.0838   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4725    0.1932    0.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3599   -0.0980   -0.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -0.5003   -1.5416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0088    0.0294    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1746    0.4453    1.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1946   -0.2918   -0.6511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2475    0.5033   -1.7797 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3249   -0.1077    0.1147 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2076   -1.6156   -1.0572 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204   -0.8487    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3858    0.9191    0.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8818    0.0612   -1.1643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1765    0.5466    1.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023    0.6802    1.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers