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
    2.6648   -0.1077   -0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2387   -0.2336   -0.5284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3953    0.3042    0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8562    0.9339    1.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0542    0.1764    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8735    0.6805    1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5951   -0.5689   -0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0548   -1.8557   -0.7463 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2023    0.0218   -2.0108 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646   -0.7145   -0.7490 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0146   -1.1165   -0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056    0.0242   -1.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9526    0.6760    0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9361    0.5485    1.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473    1.2314    2.0976 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