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
    2.6572    0.6025   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2870    0.6027   -0.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3858   -0.0789    0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8950   -0.6908    1.1814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0377   -0.1174   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5569    0.5059   -1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8873   -0.8791    0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7185   -0.3056    2.1252 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009   -0.7823    0.4855 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4732   -2.2161    0.9163 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2854    0.4246   -1.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320    1.5831    0.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9623   -0.1692    0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6183    0.4624   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9119    1.0583   -1.7471 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