Molecule

ID:9705

General Information
Structure
MolImage
Molecular Formula
C₃HF₅O₂
Molecular Mass
164.030856
Exact Mass
163.98967037
Charge
0
InChI
InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey
LRMSQVBRUNSOJL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(F)(F)F)(F)F
Isomeric Smiles
FC(C(C(=O)O)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
1.3684716
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8229642
LogD (pH = 7.4)
-1.9184777
Log P
1.6096257
Molar Refractivity
18.3219
Polarizability
7.1370955
Polar Surface Area
37.3
Rotatable Bonds
2
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
References
Bioactivity
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