Molecule

ID:98474

General Information
Structure
MolImage
Molecular Formula
C₅H₈F₂
Molecular Mass
106.1138264
Exact Mass
106.0594067
Charge
0
InChI
InChI=1S/C5H8F2/c1-2-3-4-5(6)7/h4H,2-3H2,1H3
InChIKey
TVMVISNVWGBUGD-UHFFFAOYSA-N
Canonic Smiles
CCCC=C(F)F
Isomeric Smiles
FC(=CCCC)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.561731
LogD (pH = 7.4)
2.561731
Log P
2.561731
Molar Refractivity
35.9809
Polarizability
9.212024
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
No Data Available
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Molecule Details
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References
Bioactivity
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