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
    2.2934    0.6148   -1.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1086    0.7050   -0.4747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3012   -0.4134   -0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6945   -1.4689   -0.8915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9423   -0.3793    0.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6478   -1.4793    0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3764    0.8916    1.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5472    1.8570    0.1221 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3605    1.2651    1.9834 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5025    0.7115    1.8651 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   -0.4230   -1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0903    1.2962   -0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0928    0.7178   -2.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5925   -1.5114    1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158   -2.3837    0.0611 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