Molecule

ID:65486

General Information

Structure

Molecular Formula

C₈H₄F₆

Molecular Mass

214.1077792

Exact Mass

214.02171945

Charge

0

InChI

InChI=1S/C8H4F6/c9-6-3-1-5(2-4-6)7(10,11)8(12,13)14/h1-4H

InChIKey

DJHARCGVOBGLKI-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)C(C(F)(F)F)(F)F

Isomeric Smiles

c1(ccc(cc1)C(C(F)(F)F)(F)F)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.694439

LogD (pH = 7.4)

3.694439

Log P

3.694439

Molar Refractivity

36.9161

Polarizability

13.174571

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

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References

Bioactivity