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
2.6767 -0.0318 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3952 -0.5662 -0.7178 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3705 0.2813 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6146 1.5152 -0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9637 -0.1683 -0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2478 -1.4614 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0179 0.8095 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1900 0.1469 0.6597 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.6085 1.5766 1.4238 F 0 0 0 0 0 0 0 0 0 0 0 0
-2.2708 1.5679 -0.7678 F 0 0 0 0 0 0 0 0 0 0 0 0
3.0774 0.4067 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5124 0.7448 -1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3628 -0.7943 -1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4939 -2.1899 -0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2169 -1.8371 0.2680 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