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
    2.7167   -0.1528   -0.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531   -0.4006   -0.9188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    0.1621   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8005    0.8513    0.9374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9896   -0.0553   -0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4106   -0.7635   -1.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006    0.5362    0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8419    0.0760    1.9128 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2763    0.2317    0.2304 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7617    1.8960    0.6499 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212   -0.6659    0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3957   -0.5291   -1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278    0.9364   -0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4554   -0.9225   -1.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963   -1.2000   -1.9845 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