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
    2.7245   -0.0221   -0.3679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3980   -0.3904   -0.5973 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3861    0.1894    0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7315    1.0293    1.0316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0106   -0.1358   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3782   -1.0073   -0.9101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0190    0.5203    0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9244    1.8856    0.6040 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2979    0.1007    0.5764 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7724    0.3108    2.1732 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3936   -0.8379   -0.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0082    0.9082   -0.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810    0.2217    0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6976   -1.5340   -1.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4229   -1.2385   -1.0268 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