Molecule

ID:51388

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁F₃
Molecular Mass
222.2903496
Exact Mass
222.15953533
Charge
0
InChI
InChI=1S/C12H21F3/c1-2-3-4-5-10-6-8-11(9-7-10)12(13,14)15/h10-11H,2-9H2,1H3/t10-,11-
InChIKey
NPMMFSZXNAUQMB-XYPYZODXSA-N
Canonic Smiles
CCCCC[C@@H]1CC[C@H](CC1)C(F)(F)F
Isomeric Smiles
[C@H]1(CC[C@H](CC1)C(F)(F)F)CCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.297019
LogD (pH = 7.4)
5.297019
Log P
5.297019
Molar Refractivity
55.9651
Polarizability
21.291042
Polar Surface Area
0.0
Rotatable Bonds
5
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
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References
Bioactivity
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