Molecule

ID:97305

General Information
Structure
Molecular Formula
C₈F₁₆
Molecular Mass
400.0600512
Exact Mass
399.97445152
Charge
0
InChI
InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)5(15,16)2(10,8(22,23)24)6(17,18)4(1,13)14
InChIKey
LYMIGLGNHPPIQP-UHFFFAOYSA-N
Canonic Smiles
FC(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)C(F)(F)F)(F)F
Isomeric Smiles
FC1(F)C(F)(C(F)(C(F)(F)F)C(C(C1(F)C(F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0818143
LogD (pH = 7.4)
5.0818143
Log P
5.0818143
Molar Refractivity
37.8922
Polarizability
15.349876
Polar Surface Area
0.0
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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