Molecule

ID:98442

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₅O
Molecular Mass
164.073916
Exact Mass
164.02605588
Charge
0
InChI
InChI=1S/C4H5F5O/c1-10-4(8,9)2-3(5,6)7/h2H2,1H3
InChIKey
VVYLFAAYPQDDKF-UHFFFAOYSA-N
Canonic Smiles
COC(CC(F)(F)F)(F)F
Isomeric Smiles
FC(CC(F)(OC)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9312098
LogD (pH = 7.4)
1.9312098
Log P
1.9312098
Molar Refractivity
23.4795
Polarizability
8.612441
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
No Data Available
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Molecule Details
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References
Bioactivity
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