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
    1.0563   -1.6001   -1.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4086   -0.5958   -1.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3274   -0.5371    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8738   -1.4527    0.8601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3744    0.5586    0.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4160    0.5559    2.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0302    1.6540    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5974    2.5198    1.0361 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1277    2.3717   -0.6299 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0525    1.1406   -0.6466 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9983   -2.6022   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1357   -1.3736   -2.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6418   -1.7107   -2.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093    1.3198    2.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0657   -0.2480    2.6967 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