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
    4.0533    0.4676   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4654   -0.5443    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0392   -0.7632    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402   -1.7310    0.8017 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3275    0.0634   -0.5773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -0.0221   -0.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9532    0.1784    0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3639    0.0419   -0.3314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4028    0.2268    0.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6385    0.0951    0.1505 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034    1.5304    1.1955 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2387   -0.6202    1.8072 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4337   -1.1937   -0.9355 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4934    1.0826   -1.2326 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8404    1.4430    0.8213 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7661   -0.7216    1.2659 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5303    1.1488   -0.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1161    0.6922    0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9780   -1.2179    1.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2861   -0.9590   -1.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245    0.8026   -1.6341 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