Molecule

ID:11869

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅F₃O₂
Molecular Mass
200.1987096
Exact Mass
200.10241438
Charge
0
InChI
InChI=1S/C8H15F3O2/c1-2-3-4-6(7(12)13)5-8(9,10)11/h6-7,12-13H,2-5H2,1H3
InChIKey
ZAEIQOLUTRNIRG-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(O)O)CC(F)(F)F
Isomeric Smiles
C(C(CC(F)(F)F)CCCC)(O)O
Calculated Properties
JChem
Acid pKa
12.180732
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2155876
LogD (pH = 7.4)
2.2155805
Log P
2.2155876
Molar Refractivity
42.2779
Polarizability
16.189878
Polar Surface Area
40.46
Rotatable Bonds
6
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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