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
    2.7051   -0.1508   -0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4755   -0.2990   -0.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2870    0.1381   -0.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    0.6793   -1.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9618   -0.0431    0.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0177   -0.6099    1.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154    0.4554   -0.5241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749    1.8171   -0.7335 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2997    0.1749    0.2867 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3463   -0.1216   -1.7723 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909   -1.1574   -1.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7086    0.6332   -1.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4731    0.1618    0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1189   -0.9577    1.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9570   -0.7205    1.8144 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