Molecule

ID:94321

General Information

Structure

MolImage

Molecular Formula

C₆H₁₀F₄O

Molecular Mass

174.1366128

Exact Mass

174.06677782

Charge

0

InChI

InChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3

InChIKey

CIVGBESMFDRXNF-UHFFFAOYSA-N

Canonic Smiles

CCCCOC(C(F)F)(F)F

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

18.88315

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.762923

LogD (pH = 7.4)

2.762923

Log P

2.762923

Molar Refractivity

32.0116

Polarizability

11.942984

Polar Surface Area

9.23

Rotatable Bonds

5

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity