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
    2.7741   -0.1099   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221   -0.5332   -0.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526    0.3510   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6058    1.5787   -0.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0153   -0.1468    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2963   -1.4340    0.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1346    0.8503    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3549    0.2550    0.0386 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9532    1.6019   -1.1681 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9002    1.6721    1.0992 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766   -1.0139   -0.3261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0389    0.2123    1.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8848    0.6965   -0.7765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3007   -1.8204    0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4997   -2.1596    0.0740 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