Molecule

ID:6776

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₉O
Molecular Mass
250.0623488
Exact Mass
250.0040187
Charge
0
InChI
InChI=1S/C5H3F9O/c6-2(7)4(10,11)15-1-3(8,9)5(12,13)14/h2H,1H2
InChIKey
RPSFZSRVLPIAMN-UHFFFAOYSA-N
Canonic Smiles
FC(C(OCC(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(COC(F)(F)C(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
18.880165
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0947628
LogD (pH = 7.4)
3.0947628
Log P
3.0947628
Molar Refractivity
28.2561
Polarizability
10.801962
Polar Surface Area
9.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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