Molecule

ID:8068

General Information
Structure
MolImage
Molecular Formula
C₂H₂F₄O
Molecular Mass
118.0302928
Exact Mass
118.00417756
Charge
0
InChI
InChI=1S/C2H2F4O/c3-1(4)7-2(5)6/h1-2H
InChIKey
IOCGMLSHRBHNCM-UHFFFAOYSA-N
Canonic Smiles
FC(OC(F)F)F
Isomeric Smiles
O(C(F)F)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.978066
LogD (pH = 7.4)
1.978066
Log P
1.978066
Molar Refractivity
13.0303
Polarizability
5.227012
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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