Molecule

ID:97521

General Information
Structure
MolImage
Molecular Formula
C₄H₇F₃O₂
Molecular Mass
144.0923896
Exact Mass
144.03981412
Charge
0
InChI
InChI=1S/C4H7F3O2/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
InChIKey
HRBLSBRWIWIOGW-UHFFFAOYSA-N
Canonic Smiles
OCCOCC(F)(F)F
Isomeric Smiles
O(CC(F)(F)F)CCO
Calculated Properties
JChem
Acid pKa
15.120686
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.38954365
LogD (pH = 7.4)
0.38954365
Log P
0.38954365
Molar Refractivity
24.7549
Polarizability
9.227428
Polar Surface Area
29.46
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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