Molecule

ID:97378

General Information
Structure
Molecular Formula
C₄H₃F₇O₂
Molecular Mass
216.0542424
Exact Mass
216.00212688
Charge
0
InChI
InChI=1S/C4HF7O.H2O/c5-2(6,1-12)3(7,8)4(9,10)11;/h1H;1H2
InChIKey
SIFCGDJQLNEASB-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(F)(F)F)(F)F)(F)F.O
Isomeric Smiles
FC(F)(F)C(F)(F)C(C=O)(F)F.O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.151652
LogD (pH = 7.4)
2.151652
Log P
2.151652
Molar Refractivity
22.0645
Polarizability
8.389408
Polar Surface Area
17.07
Rotatable Bonds
3
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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