Molecule

ID:99047

General Information
Structure
MolImage
Molecular Formula
C₅HF₉O₃
Molecular Mass
280.0452688
Exact Mass
279.97819787
Charge
0
InChI
InChI=1S/C5HF9O3/c6-2(7,1(15)16)3(8,9)4(10,11)17-5(12,13)14/h(H,15,16)
InChIKey
CZTBTZZANBJSLY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
0.32161877
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.22528686
LogD (pH = 7.4)
0.21577321
Log P
3.7451181
Molar Refractivity
25.7555
Polarizability
11.798006
Polar Surface Area
46.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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