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
    2.6154    0.0441    0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2644    0.4519    0.3521 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408   -0.4943   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208   -1.6639   -0.4224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0683   -0.1893   -0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8714   -1.1155   -0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5063    1.1814    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8906    2.1484   -0.6204 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2185    1.4569    1.4648 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8709    1.3454   -0.0089 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8049   -0.7225   -0.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8576   -0.4115    1.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2504    0.9522    0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5158   -2.0830   -0.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9124   -0.9004   -0.7649 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