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
    2.6378    0.6864   -0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4247    0.5790    0.2277 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3287   -0.0301   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296   -0.4923   -1.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9464   -0.1733    0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608    0.3036    1.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1045   -0.8386   -0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1846   -0.8523    0.5145 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7598   -2.1150   -0.6928 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4844   -0.1606   -1.4714 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237    0.0462   -1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851    1.7277   -0.7506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4413    0.3286    0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0176    0.1981    2.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2127    0.7927    2.0454 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