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
    2.6515   -0.4400    0.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2492   -0.5460    0.2228 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3885    0.4552   -0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9040    1.5222   -0.5902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669    0.3264   -0.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8286    1.3323   -0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6378   -0.9351    0.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2413   -1.1790    1.6537 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2093   -1.9562   -0.4885 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0098   -0.8454    0.3329 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    0.3995   -0.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -0.2622    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1442   -1.3481   -0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4111    2.2595   -0.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9050    1.2168   -0.4818 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