Molecule

ID:2632

General Information

Structure

MolImage

Molecular Formula

C₃H₂F₆O₂

Molecular Mass

184.0371992

Exact Mass

183.99589862

Charge

0

InChI

InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H

InChIKey

AKVXSYUWYXOLMY-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

4.9890656

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

0.6252858

LogD (pH = 7.4)

-1.5888027

Log P

1.2616985

Molar Refractivity

20.299

Polarizability

7.8783884

Polar Surface Area

40.46

Rotatable Bonds

2

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

1.85

LOG S

-2.44

Solubility (Water)

6.69e-01 g/l

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity