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
   -2.6472   -0.4828   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3692    0.0906   -0.7671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704   -0.2225    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6328   -0.9947    1.0988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9785    0.3086    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661    1.1177   -0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0073   -0.0707    1.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1746    0.5542    0.7410 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663    0.2961    2.3030 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322   -1.4539    1.0626 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3545   -0.2438   -1.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0158   -0.1778    0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5547   -1.6027   -0.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238    1.3838   -1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2957    1.4980   -0.9950 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