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
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
2.6403 0.2151 0.1818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2605 0.3800 0.0382 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3149 -0.5947 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 -1.7374 0.5907 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0887 -0.2814 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0440 -1.1806 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4699 1.1145 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0079 1.9530 0.6285 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.7923 1.2307 -0.6236 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.6781 1.3746 -1.4858 F 0 0 0 0 0 0 0 0 0 0 0 0
2.9347 -0.2956 1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 1.2367 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0095 -0.3140 -0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0736 -0.9184 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7984 -2.1826 0.5393 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