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
    2.7054    0.1295   -0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3773    0.5847   -0.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664   -0.3013    0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7268   -1.4810    0.5465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0073    0.1151    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3289    1.3265   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0508   -0.8243    0.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125   -1.2577    1.9807 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3169   -0.2314    0.5972 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0067   -1.8937   -0.2142 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7628   -0.9154   -0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984    0.2968    0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2632    0.7374   -0.9737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487    1.7043   -0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5284    2.0108   -0.3947 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