Molecule

ID:61825

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂F₂O
Molecular Mass
150.1663864
Exact Mass
150.08562144
Charge
0
InChI
InChI=1S/C7H12F2O/c8-7(9)3-1-6(5-10)2-4-7/h6,10H,1-5H2
InChIKey
XJZNZSLOHZLFQP-UHFFFAOYSA-N
Canonic Smiles
OCC1CCC(CC1)(F)F
Isomeric Smiles
C(O)C1CCC(CC1)(F)F
Calculated Properties
JChem
Acid pKa
17.642813
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0825623
LogD (pH = 7.4)
1.0825624
Log P
1.0825624
Molar Refractivity
34.6021
Polarizability
13.078284
Polar Surface Area
20.23
Rotatable Bonds
1
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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