Molecule

ID:12057

General Information

Structure

MolImage

Molecular Formula

C₄F₈O

Molecular Mass

216.0294256

Exact Mass

215.98214038

Charge

0

InChI

InChI=1S/C4F8O/c5-1(6)2(7)13-4(11,12)3(8,9)10

InChIKey

GWTYBAOENKSFAY-UHFFFAOYSA-N

Canonic Smiles

FC(=C(OC(C(F)(F)F)(F)F)F)F

Isomeric Smiles

C(C(OC(=C(F)F)F)(F)F)(F)(F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.1354306

LogD (pH = 7.4)

3.1354306

Log P

3.1354306

Molar Refractivity

44.0647

Polarizability

8.82931

Polar Surface Area

9.23

Rotatable Bonds

3

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