Molecule
ID:107834
General Information
Molecular Formula
C₄H₆F₄O
Molecular Mass
146.0834528
Exact Mass
146.03547769
Charge
0
InChI
InChI=1S/C4H6F4O/c1-2(9)4(7,8)3(5)6/h2-3,9H,1H3
InChIKey
UPMGUZUMWYWMKI-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(F)F)(F)F)O
Isomeric Smiles
CC(O)C(F)(F)C(F)F
Calculated Properties
JChem
Acid pKa
12.640151
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0649763
LogD (pH = 7.4)
1.064974
Log P
1.0649765
Molar Refractivity
21.9085
Polarizability
8.453167
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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