Molecule

ID:8218

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₆O
Molecular Mass
168.0377992
Exact Mass
168.000984
Charge
0
InChI
InChI=1S/C3H2F6O/c4-1(5)2(6)10-3(7,8)9/h1-2H
InChIKey
NYIXJXBRWHOWFJ-UHFFFAOYSA-N
Canonic Smiles
FC(C(OC(F)(F)F)F)F
Isomeric Smiles
C(C(OC(F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.575775
LogD (pH = 7.4)
2.575775
Log P
2.575775
Molar Refractivity
13.829
Polarizability
7.143147
Polar Surface Area
9.23
Rotatable Bonds
3
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
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References
Bioactivity
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