Molecule

ID:9651

General Information
Structure
MolImage
Molecular Formula
C₅HF₉O₂
Molecular Mass
264.0458688
Exact Mass
263.98328325
Charge
0
InChI
InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16)
InChIKey
CXZGQIAOTKWCDB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
0.34070453
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.50849223
LogD (pH = 7.4)
-0.5184284
Log P
3.010911
Molar Refractivity
27.6579
Polarizability
10.96584
Polar Surface Area
37.3
Rotatable Bonds
4
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