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
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
2.6471 -0.0237 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3031 0.4080 0.1884 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3245 -0.5391 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6918 -1.7305 -0.2027 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1035 -0.1737 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0174 -1.1052 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4504 1.2450 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7983 1.4824 -0.0103 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.0501 1.7092 1.3331 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.7870 1.9657 -0.9132 F 0 0 0 0 0 0 0 0 0 0 0 0
2.9029 -0.4735 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2833 0.8710 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8053 -0.7147 -0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0498 -0.7909 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7013 -2.1299 -0.4801 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