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
    2.6403    0.2151    0.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2605    0.3800    0.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149   -0.5947    0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936   -1.7374    0.5907 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0887   -0.2814    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440   -1.1806    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699    1.1145   -0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0079    1.9530    0.6285 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    1.2307   -0.6236 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6781    1.3746   -1.4858 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347   -0.2956    1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994    1.2367    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0095   -0.3140   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0736   -0.9184    0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7984   -2.1826    0.5393 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