Monomers

2,2,3,3,4,4,4-Heptafluorobutyl acrylate

Identifiers

IUPAC name
2,2,3,3,4,4,4-heptafluorobutyl prop-2-enoate
InchI
InChI=1S/C7H5F7O2/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2
InchI Key
PLXOUIVCSUBZIX-UHFFFAOYSA-N
SMILES
C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
Canonical SMILES
C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
Isomeric SMILES
C=CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H5F7O2
Heavy Atom Count
16
Molecular Weight
254.101
Exact Molecular Weight
254.0178
Valence Electrons
94
Radical Electrons
0
tPSA
26.3
MolLogP
2.5485
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

 21 20  0  0  0  0  0  0  0  0999 V2000
    4.4349    0.6608    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1911    0.6974   -0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1850   -0.1301    0.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345   -0.8797    1.3156 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534   -0.1065   -0.0401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -0.9144    0.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4592   -0.8318    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0694    0.5195    0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4999    0.4056   -0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2230   -0.5074    0.4857 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5232   -0.0772   -1.5771 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1632    1.5934   -0.2572 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4415    1.4527   -0.5662 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1835    0.9891    1.5342 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4815   -1.2344   -1.1657 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2501   -1.7166    0.8565 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7628    0.0333    0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1861    1.2646   -0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8888    1.3290   -1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275   -1.9546    0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0223   -0.5926    1.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  8 13  1  0
  8 14  1  0
  7 15  1  0
  7 16  1  0
  1 17  1  0
  1 18  1  0
  2 19  1  0
  6 20  1  0
  6 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers