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
    2.6204   -0.5796    0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    0.1239    0.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3007   -0.3065   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849   -1.3477   -0.8122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9772    0.3937   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1006    1.4737    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0718   -0.1387   -0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6681   -0.1401   -2.2334 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607    0.4940   -0.7580 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434   -1.4790   -0.5630 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4670    0.1102    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.3585   -0.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8196   -1.0904    1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0535    1.9760    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3018    1.8691    1.2491 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