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
    4.4691   -0.0032   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3826    0.7366   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502    0.1327   -0.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9812   -1.1106   -0.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9176    0.9140   -0.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086    0.4963   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9507   -0.4003    0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3727   -0.8167    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3868    0.2645    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2539    1.1961   -0.6634 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6219   -0.3667    0.0860 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413    0.8849    1.5510 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7021   -1.6525    1.4225 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4395   -1.5474   -0.8113 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667    0.1929    1.7999 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2087   -1.5613    0.5866 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4214    0.4642   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4329   -1.0753   -0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4519    1.8043   -0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4536    0.0178   -1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0004    1.4299   -0.6367 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