Molecule

ID:97597

General Information

Structure

MolImage

Molecular Formula

C₂HF₂N

Molecular Mass

77.0328464

Exact Mass

77.00770548

Charge

0

InChI

InChI=1S/C2HF2N/c3-2(4)1-5/h2H

InChIKey

DQFXLCKTFSDWHB-UHFFFAOYSA-N

Canonic Smiles

FC(C#N)F

Isomeric Smiles

N#CC(F)F

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

0.24927711

LogD (pH = 7.4)

0.24927711

Log P

0.24927711

Molar Refractivity

11.7618

Polarizability

4.1917133

Polar Surface Area

23.79

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity