Molecule

ID:6505

General Information
Structure
MolImage
Molecular Formula
C₄H₄F₆O
Molecular Mass
182.0643792
Exact Mass
182.01663407
Charge
0
InChI
InChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3
InChIKey
PKMXTDVNDDDCSY-UHFFFAOYSA-N
Canonic Smiles
COC(C(C(F)(F)F)F)(F)F
Isomeric Smiles
C(C(C(OC)(F)F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
14.992536
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1885412
LogD (pH = 7.4)
2.1885412
Log P
2.1885412
Molar Refractivity
23.2981
Polarizability
8.738154
Polar Surface Area
9.23
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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