Molecule

ID:12353

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₉O₂
Molecular Mass
266.0617488
Exact Mass
265.99893332
Charge
0
InChI
InChI=1S/C5HF9O.H2O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14;/h1H;1H2
InChIKey
UZESRIBVQIPIHZ-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F.O
Isomeric Smiles
C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F.O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.852295
LogD (pH = 7.4)
2.852295
Log P
2.852295
Molar Refractivity
26.7325
Polarizability
10.304401
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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