Molecule

ID:8114

General Information
Structure
MolImage
Molecular Formula
C₅H₂F₆O₂
Molecular Mass
208.0585992
Exact Mass
207.99589862
Charge
0
InChI
InChI=1S/C5H2F6O2/c6-4(7,8)2(1-3(12)13)5(9,10)11/h1H,(H,12,13)
InChIKey
ZSBJCNVMTCMOBW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C=C(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(=O)(C=C(C(F)(F)F)C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
2.7823927
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.76435244
LogD (pH = 7.4)
-1.6036009
Log P
1.8917978
Molar Refractivity
29.1119
Polarizability
10.253374
Polar Surface Area
37.3
Rotatable Bonds
3
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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