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
    2.7223    0.4863   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    0.7495   -0.3099 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287   -0.1671    0.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8342   -1.2071    0.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0039   -0.0092   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4961    1.0305   -0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9666   -1.0240    0.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698   -1.1525    1.8023 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2602   -0.7030    0.1434 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5872   -2.2384   -0.1200 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1507   -0.1041   -0.8778 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8331   -0.1070    0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775    1.4410   -0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666    1.8309   -1.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5530    1.1741   -0.8790 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