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
    2.6108    0.3518   -0.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2708    0.6299   -0.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929   -0.4352   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378   -1.6017   -0.4464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0113   -0.2920   -0.0017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8026   -1.3368    0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980    1.0703    0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9384    0.9913    0.4577 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9640    1.6163    1.2891 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4002    1.8347   -0.9499 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2200    0.0882    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6325   -0.5356   -1.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0216    1.1949   -1.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4225   -2.3372   -0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8494   -1.2388    0.3325 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