Molecule

ID:32101

General Information

Structure

Molecular Formula

C₈H₆F₄

Molecular Mass

178.1268528

Exact Mass

178.04056307

Charge

0

InChI

InChI=1S/C8H6F4/c1-8(11,12)5-2-6(9)4-7(10)3-5/h2-4H,1H3

InChIKey

SBCKDBDOFDSZFH-UHFFFAOYSA-N

Canonic Smiles

Fc1cc(F)cc(c1)C(F)(F)C

Isomeric Smiles

FC(F)(C)c1cc(cc(c1)F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.8958004

LogD (pH = 7.4)

2.8958004

Log P

2.8958004

Molar Refractivity

36.5966

Polarizability

13.133816

Polar Surface Area

0.0

Rotatable Bonds

1

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