Molecule

ID:65102

General Information
Structure
MolImage
Molecular Formula
C₅H₈F₂O
Molecular Mass
122.1132264
Exact Mass
122.05432132
Charge
0
InChI
InChI=1S/C5H8F2O/c6-5(7)1-4(2-5)3-8/h4,8H,1-3H2
InChIKey
MDZKTVVUZBIKGI-UHFFFAOYSA-N
Canonic Smiles
OCC1CC(C1)(F)F
Isomeric Smiles
C1(CC(C1)CO)(F)F
Calculated Properties
JChem
Acid pKa
15.450773
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.19342507
LogD (pH = 7.4)
0.19342506
Log P
0.19342507
Molar Refractivity
25.4001
Polarizability
9.500258
Polar Surface Area
20.23
Rotatable Bonds
1
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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