Molecule

ID:94780

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₆
Molecular Mass
164.0490992
Exact Mass
164.00606938
Charge
0
InChI
InChI=1S/C4H2F6/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2-/m0/s1
InChIKey
LMSLTAIWOIYSGZ-LWMBPPNESA-N
Canonic Smiles
F[C@H]1[C@H](F)C(C1(F)F)(F)F
Isomeric Smiles
FC1(C(F)([C@H]([C@@H]1F)F)F)F
Calculated Properties
JChem
Acid pKa
18.356508
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.9227991
LogD (pH = 7.4)
1.9227991
Log P
1.9227991
Molar Refractivity
17.8768
Polarizability
7.313292
Polar Surface Area
0.0
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
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References
Bioactivity
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