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
    2.5441    0.6194    0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1368    0.5881    0.2992 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4869   -0.4703   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1641   -1.4477   -0.6692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9563   -0.3955   -0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6199   -1.3908   -1.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.7866    0.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0820    0.6324   -0.2462 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233    1.9082   -0.6848 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6091    0.9492    1.3790 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0706    1.1164   -0.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9605   -0.4135    0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256    1.1232    1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6871   -1.3205   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0733   -2.2851   -1.3695 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