Molecule

ID:95006

General Information

Structure

Molecular Formula

C₄F₈O

Molecular Mass

216.0294256

Exact Mass

215.98214038

Charge

0

InChI

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

InChIKey

PLDYTCVFPKKAJR-UHFFFAOYSA-N

Canonic Smiles

FC(C1(OC1(F)F)C(F)(F)F)(F)F

Isomeric Smiles

O1C(C1(F)F)(C(F)(F)F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.6948915

LogD (pH = 7.4)

2.6948915

Log P

2.6948915

Molar Refractivity

22.0686

Polarizability

8.504665

Polar Surface Area

12.53

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