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
    2.7970   -0.0024   -0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.5353   -0.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3528    0.2924   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6078    1.5452   -0.0790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098   -0.1984   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2508   -1.4858   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1364    0.7575   -0.0286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0889    1.5893    1.0770 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3597    0.1425   -0.0210 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1049    1.5686   -1.1653 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9733    0.4775    0.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9265    0.7181   -0.9122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4985   -0.8524   -0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2696   -1.8544    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001   -2.1625   -0.0191 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