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
    3.9912    0.5571   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8943    0.8371    0.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7762   -0.1317    0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9249   -1.1881   -0.1957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6091    0.0818    1.1283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4777   -0.7583    1.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1814   -1.0551   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7568    0.0944   -0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7944    0.8935   -0.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2491    1.4114    1.0186 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897    0.0710    0.1889 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3129    1.9092   -0.8926 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7834    0.9212   -1.3995 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4299   -0.4468   -1.9680 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3851   -1.7674   -0.9722 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2826   -1.8716    0.2432 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858   -0.3788   -0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8304    1.2085   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    1.7515    1.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1837   -0.3579    1.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2218   -1.7810    1.5965 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