Molecule

ID:98561

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₁₁O₂
Molecular Mass
316.0692552
Exact Mass
315.99573976
Charge
0
InChI
InChI=1S/C6H3F11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h1,18-19H
InChIKey
KXQOFJJFAGOINP-UHFFFAOYSA-N
Canonic Smiles
OC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Isomeric Smiles
FC(C(F)(C(F)(F)C(C(F)(F)F)(F)F)F)(F)C(O)O
Calculated Properties
JChem
Acid pKa
9.5224495
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.874825
LogD (pH = 7.4)
2.8716054
Log P
2.874866
Molar Refractivity
33.4133
Polarizability
13.445956
Polar Surface Area
40.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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