Molecule

ID:61425

General Information
Structure
MolImage
Molecular Formula
C₅H₉F₃O
Molecular Mass
142.1195696
Exact Mass
142.06054957
Charge
0
InChI
InChI=1S/C5H9F3O/c1-3(2)4(9)5(6,7)8/h3-4,9H,1-2H3
InChIKey
FPIWJHHQCNHQIC-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)C(C)C
Isomeric Smiles
C(C(C(C)C)O)(F)(F)F
Calculated Properties
JChem
Acid pKa
11.281341
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7405887
LogD (pH = 7.4)
1.7405324
Log P
1.7405894
Molar Refractivity
27.1258
Polarizability
10.14178
Polar Surface Area
20.23
Rotatable Bonds
2
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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