Monomers

Methyl 2,3,3-trifluoroacrylate

Identifiers

IUPAC name
methyl 2,3,3-trifluoroprop-2-enoate
InchI
InChI=1S/C4H3F3O2/c1-9-4(8)2(5)3(6)7/h1H3
InchI Key
LOYYAPWQNHOYQA-UHFFFAOYSA-N
SMILES
COC(=O)C(=C(F)F)F
Canonical SMILES
COC(=O)C(=C(F)F)F
Isomeric SMILES
COC(=O)C(=C(F)F)F
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H3F3O2
Heavy Atom Count
9
Molecular Weight
140.06
Exact Molecular Weight
140.0085
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.237
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

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.3234   -0.0985   -0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670    0.3389   -0.6621 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0590   -0.0216    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.7146    1.1031 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3954    0.3598   -0.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201   -0.0079    0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904   -0.7587    1.5337 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6927    0.3377    0.0644 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833    1.0974   -1.4227 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9395   -0.4767   -1.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170   -0.8579    0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8010    0.8021    0.2952 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
  6  7  1  0
  6  8  1  0
  5  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers