Molecule

ID:97030

General Information

Structure

Molecular Formula

C₇H₉F₅O₂

Molecular Mass

220.137176

Exact Mass

220.05227063

Charge

0

InChI

InChI=1S/C7H9F5O2/c1-2-3-4-14-5(13)6(8,9)7(10,11)12/h2-4H2,1H3

InChIKey

DUTTZBRMOIAYKM-UHFFFAOYSA-N

Canonic Smiles

CCCCOC(=O)C(C(F)(F)F)(F)F

Isomeric Smiles

O(C(=O)C(F)(F)C(F)(F)F)CCCC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

3.0794187

LogD (pH = 7.4)

3.0794187

Log P

3.0794187

Molar Refractivity

36.9646

Polarizability

13.966751

Polar Surface Area

26.3

Rotatable Bonds

6

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