Molecule
ID:97952
General Information
Molecular Formula
C₅H₄F₄O₂
Molecular Mass
172.0776728
Exact Mass
172.01474225
Charge
0
InChI
InChI=1S/C5H4F4O2/c1-3(6)4(10)11-2-5(7,8)9/h1-2H2
InChIKey
COXVPPNYSBFWNG-UHFFFAOYSA-N
Canonic Smiles
FC(=C)C(=O)OCC(F)(F)F
Isomeric Smiles
FC(=C)C(=O)OCC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7948805
LogD (pH = 7.4)
1.7948805
Log P
1.7948805
Molar Refractivity
27.7135
Polarizability
10.239454
Polar Surface Area
26.3
Rotatable Bonds
4
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
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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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