Molecule
ID:98556
General Information
Molecular Formula
C₅H₄F₆O₂
Molecular Mass
210.0744792
Exact Mass
210.01154869
Charge
0
InChI
InChI=1S/C5H4F6O2/c1-13-3(12)5(10,11)4(8,9)2(6)7/h2H,1H3
InChIKey
GUDSBACGSFZSPH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(F)F)(F)F)(F)F
Isomeric Smiles
O(C(=O)C(C(F)(F)C(F)F)(F)F)C
Calculated Properties
JChem
Acid pKa
19.72701
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9674019
LogD (pH = 7.4)
1.9674019
Log P
1.9674019
Molar Refractivity
26.8693
Polarizability
10.676301
Polar Surface Area
26.3
Rotatable Bonds
4
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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