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
    2.7310   -0.2275    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4088   -0.6199   -0.2736 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613    0.2370    0.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6573    1.3354    0.5514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340   -0.1055   -0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212   -1.2649   -0.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910    0.8751    0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3402    0.4487   -0.2374 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7777    2.1011   -0.5135 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0246    1.0789    1.4565 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    0.8725    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598   -0.5795    1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4350   -0.6656   -0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3621   -1.4972   -1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5709   -1.9888   -1.0906 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