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
    2.7425    0.1354   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4173    0.6132    0.0384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530   -0.2950   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6358   -1.4951   -0.1788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0254    0.1702    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3169    1.4334    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1052   -0.8456   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9547   -1.4751   -1.3000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3465   -0.2902    0.0863 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8526   -1.7658    0.9598 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283    0.1004    0.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3872    0.6982   -0.7118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750   -0.9345   -0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3533    1.7258    0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5845    2.2247    0.2441 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