Molecule

ID:98378

General Information
Structure
MolImage
Molecular Formula
C₆HF₉
Molecular Mass
244.0577688
Exact Mass
243.99345401
Charge
0
InChI
InChI=1S/C6HF9/c1-2-3(7,5(10,11)12)4(8,9)6(13,14)15/h1H
InChIKey
VMTQDLURMUVDFL-UHFFFAOYSA-N
Canonic Smiles
C#CC(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(F)(F)C(C(C(F)(F)F)(F)F)(C#C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1949687
LogD (pH = 7.4)
3.1949687
Log P
3.1949687
Molar Refractivity
29.2774
Polarizability
10.652191
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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