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
    4.5064    0.5601    0.7960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5353   -0.2256    0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667    0.2067    0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9277    1.2891    1.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0553   -0.5382    0.2552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2731   -0.0662    0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3092   -1.0118    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7023   -0.5745    0.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1003    0.7222   -0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4392    0.9428    0.0515 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4214    1.8144    0.2358 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688    0.7321   -1.6816 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6170   -1.5309   -0.1297 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9185   -0.4612    1.6759 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1193   -2.2913    0.5208 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550   -1.1117   -1.3538 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5271    0.2687    0.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3285    1.4947    1.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7803   -1.1388   -0.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3546    0.0347    1.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3487    0.8848   -0.0352 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