Molecule

ID:6647

General Information
Structure
MolImage
Molecular Formula
C₉F₁₈
Molecular Mass
450.0675576
Exact Mass
449.97125796
Charge
0
InChI
InChI=1S/C9F18/c10-1(7(19,20)21)4(13,14)2(11,8(22,23)24)6(17,18)3(12,5(1,15)16)9(25,26)27
InChIKey
MGOFOLPXKULBGG-UHFFFAOYSA-N
Canonic Smiles
FC(C1(F)C(F)(F)C(F)(C(F)(F)F)C(C(C1(F)F)(F)C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C1(C(C(C(C(C1(F)C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5207934
LogD (pH = 7.4)
5.5207934
Log P
5.5207934
Molar Refractivity
42.8343
Polarizability
17.27029
Polar Surface Area
0.0
Rotatable Bonds
3
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
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References
Bioactivity
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