Molecule

ID:111720

General Information

Structure

MolImage

Molecular Formula

C₉H₅F₅

Molecular Mass

208.128016

Exact Mass

208.03114126

Charge

0

InChI

InChI=1S/C9H5F5/c10-7(8(11)12)9(13,14)6-4-2-1-3-5-6/h1-5H

InChIKey

DCFLXZJTFHSORH-UHFFFAOYSA-N

Canonic Smiles

FC(=C(F)F)C(c1ccccc1)(F)F

Isomeric Smiles

FC(=C(F)C(F)(F)c1ccccc1)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.282461

LogD (pH = 7.4)

3.282461

Log P

3.282461

Molar Refractivity

51.6697

Polarizability

14.685291

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

References

Bioactivity