Molecule

ID:6508

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₆O
Molecular Mass
196.0909592
Exact Mass
196.03228413
Charge
0
InChI
InChI=1S/C5H6F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3
InChIKey
DMECHFLLAQSVAD-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(C(F)(F)F)F)(F)F
Isomeric Smiles
C(C(C(OCC)(F)F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
14.990507
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5453491
LogD (pH = 7.4)
2.5453491
Log P
2.5453491
Molar Refractivity
28.0467
Polarizability
10.375595
Polar Surface Area
9.23
Rotatable Bonds
4
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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