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
    2.6486   -0.0625    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2898   -0.4375   -0.1198 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3230    0.5186   -0.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7100    1.7262   -0.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0827    0.1888   -0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9568    1.1557   -0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4819   -1.2242   -0.4717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8388   -1.3890   -0.6599 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0971   -1.7664    0.7517 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8623   -1.9751   -1.4739 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3331   -0.6528   -0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9336   -0.1835    1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    1.0011   -0.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9955    0.9033   -0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6911    2.1972   -0.7500 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