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
    4.1841    0.8752    1.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9577    0.4032    1.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1321    0.2961    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5953    0.6551   -1.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8382   -0.1958    0.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991   -0.2742   -1.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2814   -0.8197   -0.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1322   -0.0117    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4965   -0.6906    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9918   -0.6928   -1.1515 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2739   -2.0090    0.5644 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3437   -0.0577    1.0093 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853    0.1517    1.3099 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3453    1.2281   -0.5054 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1955   -2.0991   -0.3626 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972   -0.8324   -2.1020 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821    1.1835    0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358    0.9753    2.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5725    0.0994    2.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6389   -0.9689   -1.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1070    0.7160   -1.5442 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