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
    2.7546   -0.0032    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    0.5097    0.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3843   -0.3116   -0.0761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6596   -1.4944   -0.3942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111    0.1668   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073    1.4114    0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309   -0.7289   -0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1384   -1.8001    0.4340 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3239   -0.0551   -0.4759 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8668   -1.2077   -1.7395 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9057   -0.8398    0.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0399   -0.3825   -0.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4263    0.8589    0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116    2.0889    0.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    1.7877    0.2617 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