Molecule

ID:97057

General Information

Structure

Molecular Formula

C₂HF₅O

Molecular Mass

136.020756

Exact Mass

135.99475575

Charge

0

InChI

InChI=1S/C2HF5O/c3-1(4)8-2(5,6)7/h1H

InChIKey

ACYQYBAHTSKBLM-UHFFFAOYSA-N

Canonic Smiles

FC(OC(F)(F)F)F

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.6400905

LogD (pH = 7.4)

2.6400905

Log P

2.6400905

Molar Refractivity

9.6285

Polarizability

5.409203

Polar Surface Area

9.23

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