Molecule

ID:98642

General Information
Structure
Molecular Formula
C₈F₁₆O
Molecular Mass
416.0594512
Exact Mass
415.96936614
Charge
0
InChI
InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6
InChIKey
FYJQJMIEZVMYSD-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C1(F)OC(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
O1C(F)(C(F)(C(C1(F)C(C(C(C(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)
5.889887
LogD (pH = 7.4)
5.889887
Log P
5.889887
Molar Refractivity
40.1553
Polarizability
16.173532
Polar Surface Area
9.23
Rotatable Bonds
4
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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