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
    4.2403    1.0308    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4933   -0.0351    0.2407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0447    0.0203   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564    1.1104   -0.4034 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2350   -1.0768    0.0387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1129   -1.0616   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9956   -0.2140    0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4406   -0.3908    0.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935    0.4949    0.9947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6229    0.4138    0.6301 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9190    1.8156    0.9079 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1235    0.0309    2.2926 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5805    0.0300   -1.1798 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8615   -1.6840    0.2719 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7768    1.1410    0.5439 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0116   -0.6459    1.9405 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953    1.9584   -0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2883    0.9908    0.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9268   -0.9742    0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3606   -0.8305   -1.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4811   -2.1240   -0.1005 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