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
    3.8323    1.2125   -0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0620    0.1634   -0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8393   -0.0414    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4701    0.7939    0.9753 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0123   -1.1325   -0.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1622   -1.4255    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2836   -0.4643    0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7556   -0.2436   -0.9577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8964    0.7502   -0.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9654    0.2921   -0.2029 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    1.9188   -0.3984 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3656    0.9561   -2.2320 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7393    0.2535   -1.7230 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2642   -1.4198   -1.5073 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0841    0.7273    1.0681 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3764   -1.0545    1.1191 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7377    1.3627   -1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5731    1.9590    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501   -0.5579   -1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0263   -1.6366    1.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5249   -2.4135    0.1597 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