Molecule
ID:99350
General Information
Molecular Formula
C₉H₃F₁₇O₃
Molecular Mass
482.0911744
Exact Mass
481.9810737
Charge
0
InChI
InChI=1S/C9H3F17O3/c10-2(1-27,5(14,15)16)28-9(25,26)4(13,7(20,21)22)29-8(23,24)3(11,12)6(17,18)19/h27H,1H2
InChIKey
URIUSGOUQUQAMG-UHFFFAOYSA-N
Canonic Smiles
OCC(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
Isomeric Smiles
O(C(C(OC(C(F)(F)F)(CO)F)(F)F)(C(F)(F)F)F)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.906801
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.9105086
LogD (pH = 7.4)
5.910507
Log P
5.9105086
Molar Refractivity
52.01
Polarizability
20.079926
Polar Surface Area
38.69
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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