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
    2.4259    0.4877    1.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647    0.4892    0.1295 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151   -0.0593    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0067   -0.5358    1.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8403   -0.1065   -0.6223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6161    0.3929   -1.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1372   -0.7211   -0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6327    0.0198    0.8326 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0405   -0.7190   -1.2733 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8760   -1.9838    0.2420 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0848    1.3697    1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721   -0.4033    1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9212    0.5630    2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362    0.8279   -2.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3706    0.3785   -2.5898 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