Molecule

ID:98993

General Information
Structure
MolImage
Molecular Formula
C₇H₉F₃O₂
Molecular Mass
182.1403696
Exact Mass
182.05546419
Charge
0
InChI
InChI=1S/C7H9F3O2/c8-7(9,10)6(11)12-5-3-1-2-4-5/h5H,1-4H2
InChIKey
QCONYJQZFUESJD-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)OC1CCCC1
Isomeric Smiles
FC(C(=O)OC1CCCC1)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4095788
LogD (pH = 7.4)
2.4095788
Log P
2.4095788
Molar Refractivity
34.8362
Polarizability
13.296295
Polar Surface Area
26.3
Rotatable Bonds
3
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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