Molecule

ID:7724

General Information
Structure
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Molecular Formula
C₃H₄F₄O
Molecular Mass
132.0568728
Exact Mass
132.01982763
Charge
0
InChI
InChI=1S/C3H4F4O/c4-2(5)3(6,7)1-8/h2,8H,1H2
InChIKey
NBUKAOOFKZFCGD-UHFFFAOYSA-N
Canonic Smiles
OCC(C(F)F)(F)F
Isomeric Smiles
FC(C(CO)(F)F)F
Calculated Properties
JChem
Acid pKa
12.64503
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.6484014
LogD (pH = 7.4)
0.64839894
Log P
0.6484014
Molar Refractivity
17.4897
Polarizability
6.788265
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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