Molecule
ID:11974
General Information
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+
InChIKey
LMSLTAIWOIYSGZ-XIXRPRMCSA-N
Canonic Smiles
F[C@@H]1[C@H](F)C(C1(F)F)(F)F
Isomeric Smiles
C1(C([C@@H]([C@@H]1F)F)(F)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
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...