Molecule

ID:8829

General Information
Structure
MolImage
Molecular Formula
C₄H₄F₆O
Molecular Mass
182.0643792
Exact Mass
182.01663407
Charge
0
InChI
InChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3
InChIKey
FQDXJYBXPOMIBX-UHFFFAOYSA-N
Canonic Smiles
CC(C(F)(F)F)(C(F)(F)F)O
Isomeric Smiles
C(C(F)(F)F)(C(F)(F)F)(O)C
Calculated Properties
JChem
Acid pKa
8.079197
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7308173
LogD (pH = 7.4)
1.6495104
Log P
1.7319591
Molar Refractivity
23.4699
Polarizability
8.692858
Polar Surface Area
20.23
Rotatable Bonds
2
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
References
Bioactivity
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