Molecule

ID:98198

General Information

Structure

MolImage

Molecular Formula

C₄H₇F₃O₂

Molecular Mass

144.0923896

Exact Mass

144.03981412

Charge

0

InChI

InChI=1S/C4H7F3O2/c1-3(8)2-9-4(5,6)7/h3,8H,2H2,1H3

InChIKey

MKYMZVXJKBOGLV-UHFFFAOYSA-N

Canonic Smiles

CC(COC(F)(F)F)O

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

14.836252

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.4398053

LogD (pH = 7.4)

1.4398053

Log P

1.4398053

Molar Refractivity

20.3307

Polarizability

9.232888

Polar Surface Area

29.46

Rotatable Bonds

3

Lipinski's Rule of Five

true

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

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References

Bioactivity