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
    2.7012   -0.4319    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205   -0.5932    0.5323 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3965    0.1533   -0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8595    0.9947   -0.9958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    0.0265    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4809   -0.8502    0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9631    0.8809   -0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7534    2.2246   -0.5296 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7259    0.6815   -2.1205 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2807    0.5229   -0.5499 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902   -1.3780   -0.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8684    0.3125   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380   -0.0933    1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7825   -1.4540    1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5492   -0.9964    1.1065 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