Molecule
ID:6502
General Information
Molecular Formula
C₅H₃F₉O
Molecular Mass
250.0623488
Exact Mass
250.0040187
Charge
0
InChI
InChI=1S/C5H3F9O/c6-2(4(10,11)12)5(13,14)15-1-3(7,8)9/h2H,1H2
InChIKey
LMRGTZDDPWGCGL-UHFFFAOYSA-N
Canonic Smiles
FC(C(OCC(F)(F)F)(F)F)C(F)(F)F
Isomeric Smiles
O(CC(F)(F)F)C(C(C(F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
14.987973
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1436374
LogD (pH = 7.4)
3.1436374
Log P
3.1436374
Molar Refractivity
28.7482
Polarizability
10.804573
Polar Surface Area
9.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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