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
    2.7372   -0.3861   -0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4524   -0.0322    0.2343 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2899   -0.2405   -0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3471   -0.7845   -1.5928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9663    0.1887    0.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792    0.7584    1.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2710   -0.0044   -0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4806   -1.3703   -0.7982 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2951    0.7054   -1.7505 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    0.4773    0.2236 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599    0.1268    0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544   -1.4612   -0.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667    0.0554   -1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0308    0.8927    1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9078    1.0745    1.7835 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