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
    2.3992    0.4336   -1.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0928    0.5279   -0.5623 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4505   -0.4462    0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066   -1.4830    0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9165   -0.3181    0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321   -1.2996    1.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409    0.8881    0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8696    1.0250   -0.9544 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1744    2.0160    0.9904 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9801    0.7188    0.9742 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175   -0.4976   -0.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9726    1.3017   -0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313    0.5641   -2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4229   -1.2607    1.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8341   -2.1701    1.5787 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