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
    2.7213    0.0107   -0.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4247    0.3797   -0.1209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3147   -0.4241   -0.2381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274   -1.5565   -0.7470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9618    0.1268    0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0251    1.3310    0.7894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154   -0.6637    0.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2433    0.0801    0.7084 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106   -0.8111   -1.1845 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0940   -1.9066    0.7556 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3009   -0.2054    0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6915   -0.8437   -1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480    0.8828   -1.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9706    1.6990    1.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1076    1.9008    0.8456 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