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
    2.6572    0.3448    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129    0.6440    0.1361 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3350   -0.2164    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993   -1.2546    0.9947 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9573    0.0400   -0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1527    1.1186   -0.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0602   -0.9053   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2691   -0.9757    1.3367 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236   -2.1986   -0.4325 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2241   -0.5315   -0.6767 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3721    0.1294   -0.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889   -0.5907    1.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009    1.2074    1.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1250    1.3544   -1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3543    1.8341   -1.1552 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