Molecule

ID:93095

General Information

Structure

Molecular Formula

C₆H₁₀F₃I

Molecular Mass

266.0432796

Exact Mass

265.97793298

Charge

0

InChI

InChI=1S/C6H10F3I/c1-2-3-5(10)4-6(7,8)9/h5H,2-4H2,1H3

InChIKey

QFRQARUUKDNGBD-UHFFFAOYSA-N

Canonic Smiles

CCCC(CC(F)(F)F)I

Isomeric Smiles

FC(CC(CCC)I)(F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.6538036

LogD (pH = 7.4)

3.6538036

Log P

3.6538036

Molar Refractivity

43.0394

Polarizability

16.616749

Polar Surface Area

0.0

Rotatable Bonds

4

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