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
    3.8881    0.5101   -0.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9264    0.7919   -0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8095   -0.1307    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8061   -1.1811   -0.6234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7752    0.0968    0.9309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2889   -0.7545    1.1154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1832   -1.0440   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8801    0.1194   -0.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7706    0.8781    0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0955    1.3987    1.3365 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8633    0.1225    0.6685 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3060    1.9426   -0.4619 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010   -0.4042   -1.6569 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0309    0.9968   -1.2819 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296   -1.8620    0.4686 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6179   -1.7990   -1.0096 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8697   -0.4008   -1.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7162    1.1803   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708    1.7118    0.4477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8996   -0.4107    2.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1045   -1.7619    1.4719 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