Molecule

ID:93654

General Information

Structure

MolImage

Molecular Formula

C₅H₇F₃O

Molecular Mass

140.1036896

Exact Mass

140.0448995

Charge

0

InChI

InChI=1S/C5H7F3O/c1-2-3-4(9)5(6,7)8/h2,4,9H,1,3H2

InChIKey

LWFLVOBZYLXRMP-UHFFFAOYSA-N

Canonic Smiles

C=CCC(C(F)(F)F)O

Isomeric Smiles

FC(C(CC=C)O)(F)F

Calculated Properties

JChem

Acid pKa

11.352192

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.5161966

LogD (pH = 7.4)

1.5161488

Log P

1.5161973

Molar Refractivity

27.2993

Polarizability

9.882794

Polar Surface Area

20.23

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

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Molecule Details

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References

Bioactivity