Molecule

ID:8953

General Information
Structure
MolImage
Molecular Formula
C₃H₆F₂O
Molecular Mass
96.0759464
Exact Mass
96.03867125
Charge
0
InChI
InChI=1S/C3H6F2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
PVDLUGWWIOGCNH-UHFFFAOYSA-N
Canonic Smiles
FCC(CF)O
Isomeric Smiles
C(C(CF)O)F
Calculated Properties
JChem
Acid pKa
13.059986
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.05683049
LogD (pH = 7.4)
-0.056831423
Log P
-0.056830473
Molar Refractivity
17.1319
Polarizability
6.637452
Polar Surface Area
20.23
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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