Molecule
ID:12089
General Information
Molecular Formula
C₈HF₁₇O₂
Molecular Mass
452.0651944
Exact Mass
451.97050901
Charge
0
InChI
InChI=1S/C8HF17O2/c9-1(2(10,11)12)26-8(24,25)4(15,6(19,20)21)27-7(22,23)3(13,14)5(16,17)18/h1H
InChIKey
PYSYKOPZHYNYSZ-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)F)C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.865005
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.3663034
LogD (pH = 7.4)
6.3663034
Log P
6.3663034
Molar Refractivity
45.6101
Polarizability
17.748287
Polar Surface Area
18.46
Rotatable Bonds
9
Lipinski's Rule of Five
false
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
No Data Available
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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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