Molecule

ID:9608

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₈O
Molecular Mass
218.0453056
Exact Mass
217.99779044
Charge
0
InChI
InChI=1S/C4H2F8O/c5-2(6,7)1-13-4(11,12)3(8,9)10/h1H2
InChIKey
ZOMISZRVOJQGOT-UHFFFAOYSA-N
Canonic Smiles
FC(COC(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C(OCC(F)(F)F)(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8828807
LogD (pH = 7.4)
2.8828807
Log P
2.8828807
Molar Refractivity
24.4778
Polarizability
9.065048
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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