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
    2.7298   -0.0047    0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4598   -0.4008   -0.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3166    0.2248    0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044    1.1441    1.3146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0071   -0.1376   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1595   -1.0803   -0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1889    0.5569    0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2088    0.3531    1.9092 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0108    1.9344    0.3691 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3544    0.2180   -0.0764 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9023   -0.3035    1.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4835   -0.5921   -0.1477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195    1.0809    0.2724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2799   -1.5724   -1.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1066   -1.4208   -1.2868 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