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
    2.7463    0.0040   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446    0.4843   -0.3701 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519   -0.2934   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5633   -1.4081    0.4962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0037    0.1689   -0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    1.3444   -0.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1495   -0.7266    0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1306   -0.9668    1.4372 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3119   -0.0769   -0.2941 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0494   -1.9475   -0.5981 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472    0.7282   -0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157   -1.0255   -0.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    0.0992    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3663    1.9498   -1.1438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2348    1.6659   -1.0854 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