Molecule

ID:8606

General Information
Structure
MolImage
Molecular Formula
C₁₀HF₁₉O₂
Molecular Mass
514.0834008
Exact Mass
513.96731545
Charge
0
InChI
InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
InChIKey
PCIUEQPBYFRTEM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
-5.200439
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.984657
LogD (pH = 7.4)
2.984657
Log P
6.514125
Molar Refractivity
50.9979
Polarizability
20.550623
Polar Surface Area
37.3
Rotatable Bonds
9
Lipinski's Rule of Five
false
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
References
Bioactivity
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