Molecule

ID:32014

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅F₃O
Molecular Mass
208.2207096
Exact Mass
208.10749976
Charge
0
InChI
InChI=1S/C10H15F3O/c11-10(12,13)6-7-1-2-9-8(5-7)3-4-14-9/h7-9H,1-6H2
InChIKey
GVSILLCOBOUFQN-UHFFFAOYSA-N
Canonic Smiles
FC(CC1CCC2C(C1)CCO2)(F)F
Isomeric Smiles
O1CCC2C1CCC(C2)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7370093
LogD (pH = 7.4)
2.7370093
Log P
2.7370093
Molar Refractivity
46.6996
Polarizability
17.746033
Polar Surface Area
9.23
Rotatable Bonds
2
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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