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
    2.0928    1.0297    1.3592 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911    0.9955    0.3585 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2539   -0.1101    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4496   -1.0471    1.0478 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7854   -0.1950   -0.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005    0.7739   -1.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6302   -1.4112   -0.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2953   -1.5666    0.3669 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7446   -2.4959   -0.9241 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700   -1.4241   -1.9108 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790    2.0258    1.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9286    0.2405    2.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0840    0.7700    0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642    0.7476   -2.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3889    1.6672   -1.5955 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