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
    2.3864    0.7393    0.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0380    0.7104    0.4547 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4502   -0.4482   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1365   -1.4979   -0.0179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257   -0.4498   -0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559   -1.5571   -0.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7248    0.7958   -0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9775    0.5431   -0.9726 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0676    1.7640   -1.2480 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7642    1.3065    0.8128 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7738    1.7595    0.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9816    0.1899    0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995    0.1765    1.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877   -2.4644   -0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4627   -1.5675   -1.2793 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