Molecule

ID:96801

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀F₄O
Molecular Mass
174.1366128
Exact Mass
174.06677782
Charge
0
InChI
InChI=1S/C6H10F4O/c1-5(2,3)11-6(9,10)4(7)8/h4H,1-3H3
InChIKey
MXQPKYCQVNRWJV-UHFFFAOYSA-N
Canonic Smiles
FC(C(OC(C)(C)C)(F)F)F
Isomeric Smiles
O(C(C(F)F)(F)F)C(C)(C)C
Calculated Properties
JChem
Acid pKa
18.876045
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4929836
LogD (pH = 7.4)
2.4929836
Log P
2.4929836
Molar Refractivity
31.9436
Polarizability
11.942987
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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