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
   -2.3264    1.2152   -0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9785    0.8919   -0.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217   -0.4024   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3224   -1.3576   -0.1942 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8638   -0.6557    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3032   -1.8734    0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8009    0.4765    0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0936    0.0624    0.5743 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988    1.2135    1.4197 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7331    1.3227   -0.7785 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798    2.3139   -0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6266    0.6750   -1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9857    0.8909    0.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3333   -2.0818    0.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6145   -2.6909    0.2354 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