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
    2.4281   -1.0094    0.3525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0296   -0.8093    0.4211 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4754    0.2574   -0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    0.9868   -0.9215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9484    0.5379   -0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3943    1.5621   -0.9357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8214   -0.3652    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3948   -0.3022    1.8553 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1537    0.0113    0.4408 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7304   -1.6835    0.1028 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6922   -1.8717   -0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9596   -0.1067    0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7699   -1.1972    1.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4421    1.8097   -0.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7165    2.1800   -1.4902 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