Molecule

ID:98087

General Information

Structure

MolImage

Molecular Formula

C₅H₃F₅O₂

Molecular Mass

190.068136

Exact Mass

190.00532044

Charge

0

InChI

InChI=1S/C5H3F5O2/c1-2(11)12-3(4(6)7)5(8,9)10/h1H3

InChIKey

WNCIZRLPJSFMAU-UHFFFAOYSA-N

Canonic Smiles

CC(=O)OC(=C(F)F)C(F)(F)F

Isomeric Smiles

O=C(C)OC(=C(F)F)C(F)(F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.2770003

LogD (pH = 7.4)

1.2770003

Log P

1.2770003

Molar Refractivity

38.7552

Polarizability

10.330147

Polar Surface Area

26.3

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