Molecule

ID:93157

General Information
Structure
MolImage
Molecular Formula
C₅F₁₁IO
Molecular Mass
411.9398052
Exact Mass
411.88182304
Charge
0
InChI
InChI=1S/C5F11IO/c6-1(2(7,8)9,3(10,11)12)18-5(15,16)4(13,14)17
InChIKey
ZTRORDXSFFFPOW-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(C(F)(F)F)OC(C(I)(F)F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)C(I)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.872
LogD (pH = 7.4)
4.872
Log P
4.872
Molar Refractivity
42.6592
Polarizability
16.715124
Polar Surface Area
9.23
Rotatable Bonds
5
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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