Molecule

ID:100581

General Information
Structure
MolImage
Molecular Formula
C₇H₈F₆O
Molecular Mass
222.1282392
Exact Mass
222.0479342
Charge
0
InChI
InChI=1S/C7H8F6O/c8-5(7(11,12)13)6(9,10)4-2-1-3-14-4/h4-5H,1-3H2
InChIKey
LUFBQXOWLQEASN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C1CCCO1)(F)F)C(F)(F)F
Isomeric Smiles
O1CCCC1C(C(C(F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
15.936883
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5066097
LogD (pH = 7.4)
2.5066097
Log P
2.5066097
Molar Refractivity
34.6122
Polarizability
13.106273
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
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References
Bioactivity
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