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
    4.1942    1.3587   -0.0338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4252    0.3642   -0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0814    0.1917    0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221    0.9839    0.9273 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2946   -0.8297   -0.3451 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026   -1.1518    0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0525   -0.1290   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3675   -0.7435    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4573    0.2738    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6835   -0.1739    0.4339 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1190    1.4623    0.6555 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5051    0.5392   -1.3266 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6043   -1.8924   -0.4371 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2219   -1.0329    1.6066 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1572    0.0348   -1.6067 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8899    1.0634    0.4061 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8457    2.0717    0.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1961    1.4980   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7883   -0.3382   -1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0983   -1.4912    1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2935   -2.0590   -0.5785 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