Molecule

ID:8368

General Information
Structure
MolImage
Molecular Formula
C₆HF₁₁O₂
Molecular Mass
314.0533752
Exact Mass
313.98008969
Charge
0
InChI
InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)
InChIKey
PXUULQAPEKKVAH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
-0.77681065
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.18286228
LogD (pH = 7.4)
0.18209596
Log P
3.7115538
Molar Refractivity
32.3259
Polarizability
12.882016
Polar Surface Area
37.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation