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
    2.3779    0.1497    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1149   -0.4486   -0.1965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0699    0.0420    0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0494    1.0372    1.0718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3707   -0.5374   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4797   -0.0287    0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6949   -0.5514    0.2347 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4526    1.0492    1.3360 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4980   -1.6182   -0.8203 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1687   -0.4184   -0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3898    1.2303   -0.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5640    0.0943    1.2225 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