Molecule

ID:98666

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₁₂
Molecular Mass
302.0609184
Exact Mass
301.9964887
Charge
0
InChI
InChI=1S/C6H2F12/c7-1(8)3(11,12)5(15,16)6(17,18)4(13,14)2(9)10/h1-2H
InChIKey
UYDBQWIWVMBDME-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(F)(C(C(C(F)F)(F)F)(F)F)F)(C(F)F)F
Calculated Properties
JChem
Acid pKa
19.485754
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9067674
LogD (pH = 7.4)
3.9067674
Log P
3.9067674
Molar Refractivity
29.7618
Polarizability
12.05993
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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