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
    1.6039   -2.0841    0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5347   -1.1695    0.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375    0.0893   -0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7742    0.4835   -0.5811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5292    0.9303   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4085    2.1304   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8261    0.4166    0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504    0.0895    1.5479 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8214    1.3738    0.0935 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1755   -0.7480   -0.4863 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6052   -2.4198    1.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5455   -1.4668    0.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5704   -2.9180   -0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815    2.7526   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5211    2.5402   -1.1349 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