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
    2.7590    0.0396    0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4195    0.5070    0.1179 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483   -0.3837   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6722   -1.5829   -0.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9940    0.1236   -0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403    1.4112    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1639   -0.7622   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9680   -1.3685   -1.5807 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3496   -0.0804   -0.3280 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2295   -1.7600    0.6175 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2788    0.1742   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    0.7254    0.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8398   -1.0177    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2312    1.8417    0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299    2.1326    0.1919 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