Molecule

ID:8071

General Information
Structure
Molecular Formula
C₄H₃F₇O
Molecular Mass
200.0548424
Exact Mass
200.00721226
Charge
0
InChI
InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
InChIKey
CWIFAKBLLXGZIC-UHFFFAOYSA-N
Canonic Smiles
FC(C(OCC(F)(F)F)(F)F)F
Isomeric Smiles
C(COC(C(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
18.878777
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3941202
LogD (pH = 7.4)
2.3941202
Log P
2.3941202
Molar Refractivity
23.5881
Polarizability
8.889858
Polar Surface Area
9.23
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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