Molecule

ID:12173

General Information
Structure
MolImage
Molecular Formula
C₅H₉F₃O₂
Molecular Mass
158.1189696
Exact Mass
158.05546419
Charge
0
InChI
InChI=1S/C5H9F3O2/c1-9-4(10-2)3-5(6,7)8/h4H,3H2,1-2H3
InChIKey
VMGIQGADPKWJFA-UHFFFAOYSA-N
Canonic Smiles
COC(CC(F)(F)F)OC
Isomeric Smiles
C(CC(F)(F)F)(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2464995
LogD (pH = 7.4)
1.2464995
Log P
1.2464995
Molar Refractivity
28.6955
Polarizability
11.015328
Polar Surface Area
18.46
Rotatable Bonds
4
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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