Molecule

ID:100606

General Information
Structure
MolImage
Molecular Formula
C₉F₂₀O
Molecular Mass
504.063764
Exact Mass
503.96297902
Charge
0
InChI
InChI=1S/C9F20O/c10-1(5(17,18)19,6(20,21)22)8(26,27)30-9(28,29)4(15,16)2(11,12)3(13,14)7(23,24)25
InChIKey
ODWOZMSHTDFDFA-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
Isomeric Smiles
O(C(F)(F)C(C(F)(F)F)(F)C(F)(F)F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.9725695
LogD (pH = 7.4)
6.9725695
Log P
6.9725695
Molar Refractivity
48.657
Polarizability
19.037565
Polar Surface Area
9.23
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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