Molecule

ID:98696

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₂F₃₂O₄
Molecular Mass
936.2664824
Exact Mass
936.0224619
Charge
0
InChI
InChI=1S/C21H12F32O4/c22-5(23)13(38,39)17(46,47)9(30,31)1-54-21(55-2-10(32,33)18(48,49)14(40,41)6(24)25,56-3-11(34,35)19(50,51)15(42,43)7(26)27)57-4-12(36,37)20(52,53)16(44,45)8(28)29/h5-8H,1-4H2
InChIKey
HORCGEVYALXMCL-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(COC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(CC(C(C(C(F)F)(F)F)(F)F)(F)F)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(F)(F)C(F)(F)C(C(F)F)(F)F)OCC(C(C(F)(F)C(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.187487
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
11.587648
LogD (pH = 7.4)
11.587648
Log P
11.587648
Molar Refractivity
105.8246
Polarizability
42.393833
Polar Surface Area
36.92
Rotatable Bonds
24
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Synonyms
Tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)orthocarbonate 97%
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation