Molecule

ID:98477

General Information

Structure

Molecular Formula

C₇H₁₂F₂

Molecular Mass

134.1669864

Exact Mass

134.09070682

Charge

0

InChI

InChI=1S/C7H12F2/c1-2-3-4-5-6-7(8)9/h6H,2-5H2,1H3

InChIKey

CHOOIXAAVMMENN-UHFFFAOYSA-N

Canonic Smiles

CCCCCC=C(F)F

Isomeric Smiles

FC(=CCCCCC)F

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.4508684

LogD (pH = 7.4)

3.4508684

Log P

3.4508684

Molar Refractivity

45.1829

Polarizability

12.836269

Polar Surface Area

0.0

Rotatable Bonds

4

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