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
    2.7210   -0.4226   -0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5016    0.2689   -0.0103 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614   -0.3575   -0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2720   -1.5885   -0.3296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    0.3513    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628    1.6407    0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2582   -0.4227    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -1.4150    0.9714 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940    0.4477    0.2834 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3291   -0.9651   -1.2447 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392   -1.4947    0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0117   -0.4819   -1.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5548    0.0856    0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276    2.1563    0.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8654    2.1972    0.5164 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