Molecule

ID:97573

General Information
Structure
Molecular Formula
C₃F₆O
Molecular Mass
166.0219192
Exact Mass
165.98533394
Charge
0
InChI
InChI=1S/C3F6O/c4-1(2(5,6)7)3(8,9)10-1
InChIKey
PGFXOWRDDHCDTE-UHFFFAOYSA-N
Canonic Smiles
FC(C1(F)OC1(F)F)(F)F
Isomeric Smiles
O1C(C1(F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3866732
LogD (pH = 7.4)
2.3866732
Log P
2.3866732
Molar Refractivity
16.8153
Polarizability
6.5830407
Polar Surface Area
9.23
Rotatable Bonds
1
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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