Molecule

ID:12047

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₈
Molecular Mass
202.0459056
Exact Mass
202.00287582
Charge
0
InChI
InChI=1S/C4H2F8/c5-1(3(7,8)9)2(6)4(10,11)12/h1-2H
InChIKey
CFSHSCBNZAKMAT-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)C(C(F)(F)F)F
Isomeric Smiles
C(C(C(C(F)(F)F)F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
16.723053
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6032312
LogD (pH = 7.4)
2.6032312
Log P
2.6032312
Molar Refractivity
21.41
Polarizability
8.231867
Polar Surface Area
0.0
Rotatable Bonds
3
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