Molecule

ID:9891

General Information
Structure
MolImage
Molecular Formula
C₅HF₉O
Molecular Mass
248.0464688
Exact Mass
247.98836863
Charge
0
InChI
InChI=1S/C5HF9O/c6-1(7)3(9,10)5(13,14)4(11,12)2(8)15/h1H
InChIKey
UPRLRVYBTHGWJH-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(=O)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(=O)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
19.78067
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.767891
LogD (pH = 7.4)
2.767891
Log P
2.767891
Molar Refractivity
25.9917
Polarizability
10.305856
Polar Surface Area
17.07
Rotatable Bonds
4
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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