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
    4.1926    0.4639    0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4997   -0.5625   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0734   -0.4854   -0.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4996   -1.5138   -0.7950 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3104    0.6305   -0.1785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0442    0.7986   -0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9709   -0.0603    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4033    0.3142   -0.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3978   -0.5341    0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6614   -0.1967    0.3807 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1297   -1.8756    0.5368 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2804   -0.3204    2.1131 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6725    1.6296    0.1986 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5684    0.0324   -1.3517 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8761   -1.4095    0.1348 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8959    0.2142    1.7450 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6919    1.4232    0.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2477    0.3290    0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0099   -1.4910   -0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3394    0.7477   -1.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852    1.8659   -0.1100 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