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
    2.6788   -0.2981   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010   -0.4461   -0.0967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3657    0.5600   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7849    1.7122   -0.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0662    0.2928    0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9282    1.2861   -0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5516   -1.0701    0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793   -1.5233    1.5283 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056   -1.9689   -0.6985 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9132   -1.0706    0.5462 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665    0.2731   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1247   -1.3147   -0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0884    0.1791    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6032    2.2808   -0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628    1.1077    0.0382 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