Molecule

ID:9171

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄O
Molecular Mass
180.0996728
Exact Mass
180.01982763
Charge
0
InChI
InChI=1S/C7H4F4O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChIKey
UKRYEFFTFFRSPY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1OC(F)(F)F
Isomeric Smiles
c1ccc(c(c1)F)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5470593
LogD (pH = 7.4)
3.5470593
Log P
3.5470593
Molar Refractivity
29.3447
Polarizability
12.220007
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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