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
    2.7371    0.0425    0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4404   -0.5421    0.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3626    0.3057   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5342    1.5376   -0.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9908   -0.2224   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2074   -1.5163    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1192    0.7404   -0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3175    0.0799   -0.1684 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9893    1.4389   -1.3853 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0008    1.6581    0.8395 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4328   -0.7681   -0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7860    0.9088   -0.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264    0.4074    1.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030   -1.8797    0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3914   -2.1907    0.2452 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