Molecule

ID:98575

General Information
Structure
MolImage
Molecular Formula
C₃HF₆I
Molecular Mass
277.9349292
Exact Mass
277.90271735
Charge
0
InChI
InChI=1S/C3HF6I/c4-1(2(5,6)7)3(8,9)10/h1H
InChIKey
XAEBOKNDLJGKJA-UHFFFAOYSA-N
Canonic Smiles
FC(C(I)(F)F)C(F)(F)F
Isomeric Smiles
FC(C(F)(F)I)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.659721
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4643
LogD (pH = 7.4)
2.4643
Log P
2.4643
Molar Refractivity
30.1143
Polarizability
11.891704
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
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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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