Molecule
ID:93481
General Information
Molecular Formula
C₄H₃F₃
Molecular Mass
108.0618296
Exact Mass
108.01868476
Charge
0
InChI
InChI=1S/C4H3F3/c1-2-3(5)4(6)7/h2H,1H2
InChIKey
FWTUDISDSYABRU-UHFFFAOYSA-N
Canonic Smiles
C=CC(=C(F)F)F
Isomeric Smiles
FC(=C(C=C)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.5885948
LogD (pH = 7.4)
1.5885948
Log P
1.5885948
Molar Refractivity
31.5518
Polarizability
7.134593
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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