Molecule

ID:12075

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₁₁O
Molecular Mass
300.0698552
Exact Mass
300.00082514
Charge
0
InChI
InChI=1S/C6H3F11O/c7-2(4(10,11)12)5(13,14)18-1-3(8,9)6(15,16)17/h2H,1H2
InChIKey
JOROOXPAFHWVRW-UHFFFAOYSA-N
Canonic Smiles
FC(C(OCC(C(F)(F)F)(F)F)(F)F)C(F)(F)F
Isomeric Smiles
O(CC(C(F)(F)F)(F)F)C(C(C(F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
14.988753
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8442802
LogD (pH = 7.4)
3.8442802
Log P
3.8442802
Molar Refractivity
33.4162
Polarizability
12.718811
Polar Surface Area
9.23
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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