Molecule
ID:8232
General Information
Molecular Formula
C₇H₂F₁₂O₂
Molecular Mass
346.0704184
Exact Mass
345.98631794
Charge
0
InChI
InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)
InChIKey
JZHDEEOTEUVLHR-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-1.3553421
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.39417335
LogD (pH = 7.4)
0.39397097
Log P
3.923436
Molar Refractivity
36.1042
Polarizability
14.615938
Polar Surface Area
37.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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