Molecule

ID:6769

General Information
Structure
Molecular Formula
C₄H₂F₈O
Molecular Mass
218.0453056
Exact Mass
217.99779044
Charge
0
InChI
InChI=1S/C4H2F8O/c5-2(6,3(7,8)9)1-13-4(10,11)12/h1H2
InChIKey
YTUYYFGAIBTTIE-UHFFFAOYSA-N
Canonic Smiles
FC(OCC(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(COC(F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3690712
LogD (pH = 7.4)
3.3690712
Log P
3.3690712
Molar Refractivity
19.7377
Polarizability
9.065809
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
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Molecule Details
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References
Bioactivity
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