Molecule

ID:97585

General Information
Structure
Molecular Formula
C₇H₅F₉O
Molecular Mass
276.0996288
Exact Mass
276.01966876
Charge
0
InChI
InChI=1S/C7H5F9O/c8-4(6(11,12)13,1-3-2-17-3)5(9,10)7(14,15)16/h3H,1-2H2
InChIKey
SYBLPUZYAVFTTM-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(F)(F)F)(F)F)(CC1OC1)F)(F)F
Isomeric Smiles
O1CC1CC(C(F)(F)F)(C(C(F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.868112
LogD (pH = 7.4)
2.868112
Log P
2.868112
Molar Refractivity
35.3073
Polarizability
13.42886
Polar Surface Area
12.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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