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
    2.6600   -0.7008    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2914   -0.8019   -0.3229 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4055    0.1410    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    1.0415    0.9340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0079    0.0970   -0.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4902   -0.8373   -0.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9234    1.1249    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414    2.3563   -0.0575 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2149    0.9274    0.0144 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7804    1.0571    1.7968 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1655   -1.6788   -0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6565   -0.4007    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1882    0.0918   -0.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386   -0.8415   -1.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172   -1.5760   -1.3371 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