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

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
    2.6471   -0.0237    0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3031    0.4080    0.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3245   -0.5391   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6918   -1.7305   -0.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1035   -0.1737   -0.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0174   -1.1052   -0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4504    1.2450    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7983    1.4824   -0.0103 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501    1.7092    1.3331 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7870    1.9657   -0.9132 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -0.4735    1.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2833    0.8710    0.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053   -0.7147   -0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0498   -0.7909   -0.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7013   -2.1299   -0.4801 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