Molecule

ID:12094

General Information
Structure
MolImage
Molecular Formula
C₈F₁₆O
Molecular Mass
416.0594512
Exact Mass
415.96936614
Charge
0
InChI
InChI=1S/C8F16O/c9-1(25)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24
InChIKey
ZILWJLIFAGWGLE-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(=O)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.3585796
LogD (pH = 7.4)
5.3585796
Log P
5.3585796
Molar Refractivity
40.8854
Polarizability
16.247374
Polar Surface Area
17.07
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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