Molecule

ID:100902

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₆O₂
Molecular Mass
210.0744792
Exact Mass
210.01154869
Charge
0
InChI
InChI=1S/C5H4F6O2/c6-4(7,8)3(5(9,10)11)12-1-2-13-3/h1-2H2
InChIKey
PQNNUQKDERZMPQ-UHFFFAOYSA-N
Canonic Smiles
FC(C1(OCCO1)C(F)(F)F)(F)F
Isomeric Smiles
O1C(C(F)(F)F)(C(F)(F)F)OCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3764265
LogD (pH = 7.4)
2.3764265
Log P
2.3764265
Molar Refractivity
27.8324
Polarizability
10.611294
Polar Surface Area
18.46
Rotatable Bonds
2
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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