Molecule

ID:98399

General Information
Structure
MolImage
Molecular Formula
C₅H₃F₉O
Molecular Mass
250.0623488
Exact Mass
250.0040187
Charge
0
InChI
InChI=1S/C5H3F9O/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12/h1H3
InChIKey
OKIYQFLILPKULA-UHFFFAOYSA-N
Canonic Smiles
COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3290699
LogD (pH = 7.4)
3.3290699
Log P
3.3290699
Molar Refractivity
28.3637
Polarizability
10.804049
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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