Molecule

ID:71446

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₂
Molecular Mass
104.0979464
Exact Mass
104.04375663
Charge
0
InChI
InChI=1S/C5H6F2/c1-2-4-3-5(4,6)7/h2,4H,1,3H2
InChIKey
QCLGRUGHFNFAFX-UHFFFAOYSA-N
Canonic Smiles
C=CC1CC1(F)F
Isomeric Smiles
C1(C(C1)C=C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.4404664
LogD (pH = 7.4)
1.4404664
Log P
1.4404664
Molar Refractivity
23.4603
Polarizability
8.510992
Polar Surface Area
0.0
Rotatable Bonds
1
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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