Molecule

ID:97026

General Information
Structure
Molecular Formula
C₅HF₇
Molecular Mass
194.0502624
Exact Mass
193.99664757
Charge
0
InChI
InChI=1S/C5HF7/c1-2-3(6,7)4(8,9)5(10,11)12/h1H
InChIKey
GQXURUTWTUSYPE-UHFFFAOYSA-N
Canonic Smiles
C#CC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(F)C(F)(F)C(C#C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7559896
LogD (pH = 7.4)
2.7559896
Log P
2.7559896
Molar Refractivity
24.3353
Polarizability
8.741161
Polar Surface Area
0.0
Rotatable Bonds
2
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