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
    2.7807   -0.1097   -0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948   -0.4270   -0.3354 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3906    0.3162    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6363    1.3297    0.8875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9956   -0.1044   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2506   -1.1672   -0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1326    0.6691    0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3059    0.0595    0.1856 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1072    1.9141   -0.0439 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0038    0.8226    1.9164 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9214    0.3098    0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0129    0.6571   -0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3478   -1.0395   -0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2530   -1.4939   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4357   -1.7365   -1.1497 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