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
2.7741 -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