Molecule

ID:9609

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₅O
Molecular Mass
164.073916
Exact Mass
164.02605588
Charge
0
InChI
InChI=1S/C4H5F5O/c1-2-10-4(8,9)3(5,6)7/h2H2,1H3
InChIKey
CRJVPUWOURIOCW-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(F)(F)F)(F)F
Isomeric Smiles
C(OCC)(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2845924
LogD (pH = 7.4)
2.2845924
Log P
2.2845924
Molar Refractivity
23.7763
Polarizability
8.615353
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
References
Bioactivity
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