Molecule

ID:8885

General Information
Structure
MolImage
Molecular Formula
C₅F₆O₃
Molecular Mass
222.0421192
Exact Mass
221.97516318
Charge
0
InChI
InChI=1S/C5F6O3/c6-3(7)1(12)14-2(13)4(8,9)5(3,10)11
InChIKey
IHYAGCYJVNHXCT-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(=O)C(C(C1(F)F)(F)F)(F)F
Isomeric Smiles
C1(=O)C(C(C(C(=O)O1)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9723486
LogD (pH = 7.4)
1.9723486
Log P
1.9723486
Molar Refractivity
25.2372
Polarizability
10.399389
Polar Surface Area
43.37
Rotatable Bonds
0
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