Molecule

ID:94111

General Information

Structure

MolImage

Molecular Formula

C₃H₆F₂O

Molecular Mass

96.0759464

Exact Mass

96.03867125

Charge

0

InChI

InChI=1S/C3H6F2O/c1-3(4,5)2-6/h6H,2H2,1H3

InChIKey

CKLONJANQGBREW-UHFFFAOYSA-N

Canonic Smiles

OCC(F)(F)C

Isomeric Smiles

OCC(C)(F)F

Calculated Properties

JChem

Acid pKa

12.860711

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

0.19582139

LogD (pH = 7.4)

0.1958199

Log P

0.1958214

Molar Refractivity

17.8435

Polarizability

6.644085

Polar Surface Area

20.23

Rotatable Bonds

1

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