Molecule

ID:93093

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁F₃
Molecular Mass
140.1467496
Exact Mass
140.08128501
Charge
0
InChI
InChI=1S/C6H11F3/c1-2-3-4-5-6(7,8)9/h2-5H2,1H3
InChIKey
XRKOOHTZZDPJNE-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(F)(F)F
Isomeric Smiles
FC(CCCCC)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3212996
LogD (pH = 7.4)
3.3212996
Log P
3.3212996
Molar Refractivity
30.1915
Polarizability
11.160566
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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