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
    2.6745    0.5057    0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5133   -0.3023    0.3884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3198    0.3660    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3326    1.6038   -0.1631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9356   -0.3551   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9291   -1.6528    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1788    0.3705   -0.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2210   -0.5378   -0.3624 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0868    0.9584   -1.6253 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367    1.3690    0.5889 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    1.4823    0.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590    0.5818   -0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979   -0.0156    1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0344   -2.1864    0.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8664   -2.1876    0.1706 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