Molecule

ID:97872

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀F₃N
Molecular Mass
153.1455096
Exact Mass
153.07653399
Charge
0
InChI
InChI=1S/C6H10F3N/c7-6(8,9)5-1-3-10-4-2-5/h5,10H,1-4H2
InChIKey
RDRQUUWCJTYHCT-UHFFFAOYSA-N
Canonic Smiles
FC(C1CCNCC1)(F)F
Isomeric Smiles
N1CCC(C(F)(F)F)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0091267
LogD (pH = 7.4)
-1.5355216
Log P
1.221801
Molar Refractivity
32.2419
Polarizability
11.997211
Polar Surface Area
12.03
Rotatable Bonds
1
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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