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
    2.6568   -0.5878   -0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837   -0.7826   -0.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4019    0.2115    0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8749    1.2233    0.7096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0280    0.0210   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -1.0621   -0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9122    1.1163    0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2494    0.8109    0.2602 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7073    1.3677    1.8278 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5786    2.2549   -0.2315 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1971   -1.5420    0.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366   -0.1162   -0.9872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8170    0.1130    0.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5585   -1.2135   -0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8256   -1.8144   -0.9024 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