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
    2.6611    0.4684    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704    0.5241    0.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863   -0.4194   -0.2666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9163   -1.4095   -0.8754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0475   -0.3387   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8163   -1.2708   -0.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481    0.8067    0.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373    0.6925    0.6095 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768    2.0161   -0.0379 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2175    0.9277    1.8871 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0467    1.5029   -0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1359   -0.0265    0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9912   -0.1328   -0.7998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3738   -2.1058   -1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8905   -1.2350   -0.5149 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