Molecule

ID:8009

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₇O
Molecular Mass
200.0548424
Exact Mass
200.00721226
Charge
0
InChI
InChI=1S/C4H3F7O/c5-2(6)12-1-3(7,8)4(9,10)11/h2H,1H2
InChIKey
NKEBKUGEYSHGKA-UHFFFAOYSA-N
Canonic Smiles
FC(OCC(C(F)(F)F)(F)F)F
Isomeric Smiles
C(C(COC(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7070467
LogD (pH = 7.4)
2.7070467
Log P
2.7070467
Molar Refractivity
23.1395
Polarizability
8.890142
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
No Data Available
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Molecule Details
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References
Bioactivity
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