Molecule

ID:15072

General Information

Structure

Molecular Formula

C₆H₂F₃I

Molecular Mass

257.9797596

Exact Mass

257.91533272

Charge

0

InChI

InChI=1S/C6H2F3I/c7-4-1-3(10)2-5(8)6(4)9/h1-2H

InChIKey

RLJXJUHMVYLIBW-UHFFFAOYSA-N

Canonic Smiles

Ic1cc(F)c(c(c1)F)F

Isomeric Smiles

c1(c(c(cc(c1)I)F)F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.330296

LogD (pH = 7.4)

3.330296

Log P

3.330296

Molar Refractivity

40.0697

Polarizability

15.231638

Polar Surface Area

0.0

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity