Molecule

ID:95792

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₇
Molecular Mass
184.0554424
Exact Mass
184.01229764
Charge
0
InChI
InChI=1S/C4H3F7/c5-2(4(9,10)11)1-3(6,7)8/h2H,1H2
InChIKey
KPIWBTHJFIZHLS-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)CC(F)(F)F
Isomeric Smiles
FC(F)(F)C(CC(F)(F)F)F
Calculated Properties
JChem
Acid pKa
19.41418
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3786876
LogD (pH = 7.4)
2.3786876
Log P
2.3786876
Molar Refractivity
21.5914
Polarizability
8.061196
Polar Surface Area
0.0
Rotatable Bonds
3
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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