Molecule

ID:66084

General Information

Structure

Molecular Formula

C₅H₈F₄

Molecular Mass

144.1106328

Exact Mass

144.05621314

Charge

0

InChI

InChI=1S/C5H8F4/c1-3-5(8,9)4(2,6)7/h3H2,1-2H3

InChIKey

LSYCWZUYEFVYIB-UHFFFAOYSA-N

Canonic Smiles

CCC(C(F)(F)C)(F)F

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

2.237195

LogD (pH = 7.4)

2.237195

Log P

2.237195

Molar Refractivity

25.6022

Polarizability

9.386148

Polar Surface Area

0.0

Rotatable Bonds

2

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