Molecule

ID:95482

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄F₃O₅P
Molecular Mass
278.1627306
Exact Mass
278.05309484
Charge
0
InChI
InChI=1S/C8H14F3O5P/c1-4-14-7(12)6(8(9,10)11)16-17(3,13)15-5-2/h6H,4-5H2,1-3H3
InChIKey
AXHTUWKPKDMBOU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)OP(=O)(OCC)C
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OCC)(OCC)C
Calculated Properties
JChem
Acid pKa
13.541926
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3193907
LogD (pH = 7.4)
1.3193903
Log P
1.3193907
Molar Refractivity
51.6889
Polarizability
20.756615
Polar Surface Area
61.83
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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