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
    2.6509    0.0899   -0.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620   -0.1567   -0.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3342    0.3051    0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7900    0.9632    1.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0782    0.0661    0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8866    0.5404    1.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5545   -0.7206   -0.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2064   -0.0680   -1.9512 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9398   -0.8961   -0.7419 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860   -1.9734   -0.7376 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1443   -0.9135   -0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083    0.6015    0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0374    0.7076   -1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9365    0.3485    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5391    1.1061    2.1423 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