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
    2.6086    0.6120   -0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    0.6067   -0.3558 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4280   -0.3051    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0190   -1.0876    1.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0242   -0.3701    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6928   -1.2646    0.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7075    0.5421   -0.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0630    0.2987   -0.7515 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5377    1.8705   -0.4054 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2619    0.3869   -2.0648 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450    0.2601   -1.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466    1.6697    0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9031    0.0332    0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7628   -1.3157    0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2115   -1.9368    1.5336 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