Molecule

ID:93418

General Information

Structure

MolImage

Molecular Formula

C₃H₄F₄O

Molecular Mass

132.0568728

Exact Mass

132.01982763

Charge

0

InChI

InChI=1S/C3H4F4O/c1-8-2(4)3(5,6)7/h2H,1H3

InChIKey

BEPCUGVFWAYLBF-UHFFFAOYSA-N

Canonic Smiles

COC(C(F)(F)F)F

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

18.935507

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.4757526

LogD (pH = 7.4)

1.4757526

Log P

1.4757526

Molar Refractivity

18.1116

Polarizability

6.8464084

Polar Surface Area

9.23

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity