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
    2.6911    0.1720   -0.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3207    0.5214   -0.1594 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623   -0.4797   -0.1148 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7656   -1.6682   -0.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0565   -0.2268   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9063   -1.2233   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5823    1.1577   -0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0966    1.8594    1.0849 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433    1.8722   -1.1591 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591    1.1691    0.0895 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674   -0.6775    0.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9800   -0.1914   -1.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3486    1.0235    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088   -2.2393   -0.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9830   -1.0692    0.0387 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