Molecule

ID:8097

General Information
Structure
MolImage
Molecular Formula
C₄H₇F₃O
Molecular Mass
128.0929896
Exact Mass
128.0448995
Charge
0
InChI
InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2
InChIKey
VKRFUGHXKNNIJO-UHFFFAOYSA-N
Canonic Smiles
OCCCC(F)(F)F
Isomeric Smiles
C(O)CCC(F)(F)F
Calculated Properties
JChem
Acid pKa
15.958776
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.9954835
LogD (pH = 7.4)
0.9954835
Log P
0.9954835
Molar Refractivity
22.9182
Polarizability
8.403183
Polar Surface Area
20.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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