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
    4.0548   -0.2906   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492    0.2632    0.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2311    0.4362    1.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8885    0.9707    2.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284    0.0266    0.2493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194    0.2240    0.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0725   -0.2791   -0.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077   -0.0550   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4014   -0.5724   -1.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1006    0.1395   -2.2605 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7376   -0.3477   -0.8450 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1544   -1.9175   -1.2600 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7509   -0.7214    1.1702 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095    1.3093    0.0995 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8916   -1.6482   -0.6088 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8638    0.3883   -1.6156 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3855   -0.6521   -1.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1120   -0.3907   -0.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3867    0.6004    1.5112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3629   -0.2107    1.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2638    1.3353    0.6909 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