Molecule

ID:1060

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₆O
Molecular Mass
168.0377992
Exact Mass
168.000984
Charge
0
InChI
InChI=1S/C3H2F6O/c4-1(3(7,8)9)10-2(5)6/h1-2H
InChIKey
DPYMFVXJLLWWEU-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(F)(F)F)F)F
Isomeric Smiles
FC(OC(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
18.870108
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.402511
LogD (pH = 7.4)
2.402511
Log P
2.402511
Molar Refractivity
18.1205
Polarizability
7.1424913
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.19
LOG S
-1.68
Solubility (Water)
3.54e+00 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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