Molecule

ID:110841

General Information

Structure

MolImage

Molecular Formula

C₄H₅F₅O

Molecular Mass

164.073916

Exact Mass

164.02605588

Charge

0

InChI

InChI=1S/C4H5F5O/c1-2(5)3(6,10)4(7,8)9/h2,10H,1H3

InChIKey

WIEDRIBSVFPBFK-UHFFFAOYSA-N

Canonic Smiles

CC(C(C(F)(F)F)(F)O)F

Isomeric Smiles

CC(F)C(O)(F)C(F)(F)F

Calculated Properties

JChem

Acid pKa

6.3859982

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.6314692

LogD (pH = 7.4)

0.6348287

Log P

1.6844978

Molar Refractivity

22.487

Polarizability

8.555831

Polar Surface Area

20.23

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