Molecule

ID:93033

General Information
Structure
Molecular Formula
C₈H₁₃F₅O
Molecular Mass
220.180236
Exact Mass
220.08865614
Charge
0
InChI
InChI=1S/C8H13F5O/c9-7(10,8(11,12)13)5-3-1-2-4-6-14/h14H,1-6H2
InChIKey
JVIIYFXMBLZGQO-UHFFFAOYSA-N
Canonic Smiles
OCCCCCCC(C(F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)C(CCCCCCO)(F)F
Calculated Properties
JChem
Acid pKa
16.843943
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8194888
LogD (pH = 7.4)
2.8194888
Log P
2.8194888
Molar Refractivity
41.8028
Polarizability
15.376775
Polar Surface Area
20.23
Rotatable Bonds
7
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
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Molecule Details
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References
Bioactivity
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