Molecule

ID:8073

General Information
Structure
MolImage
Molecular Formula
C₄H₄F₄O
Molecular Mass
144.0675728
Exact Mass
144.01982763
Charge
0
InChI
InChI=1S/C4H4F4O/c1-2(9)4(7,8)3(5)6/h3H,1H3
InChIKey
LXHNMFBSYHBCLY-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(=O)C)(F)F)F
Isomeric Smiles
O=C(C(C(F)F)(F)F)C
Calculated Properties
JChem
Acid pKa
14.591587
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4504907
LogD (pH = 7.4)
1.4504906
Log P
1.4504907
Molar Refractivity
20.9833
Polarizability
7.9707074
Polar Surface Area
17.07
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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