Molecule

ID:10414

General Information
Structure
MolImage
Molecular Formula
C₄H₆F₂O₂
Molecular Mass
124.0860464
Exact Mass
124.03358587
Charge
0
InChI
InChI=1S/C4H6F2O2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H,7,8)
InChIKey
SBSKRVZFWQPJID-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)O)(F)F
Isomeric Smiles
CCC(C(=O)O)(F)F
Calculated Properties
JChem
Acid pKa
2.7135367
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4098693
LogD (pH = 7.4)
-2.1950712
Log P
1.3051583
Molar Refractivity
22.2548
Polarizability
8.494632
Polar Surface Area
37.3
Rotatable Bonds
2
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
References
Bioactivity
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