Molecule

ID:8053

General Information
Structure
Molecular Formula
C₃HF₇O
Molecular Mass
186.0282624
Exact Mass
185.99156219
Charge
0
InChI
InChI=1S/C3HF7O/c4-1(2(5,6)7)11-3(8,9)10/h1H
InChIKey
UDKWMTKIRQSDHF-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)OC(F)(F)F
Isomeric Smiles
C(C(OC(F)(F)F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
18.836658
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0645354
LogD (pH = 7.4)
3.0645354
Log P
3.0645354
Molar Refractivity
14.7187
Polarizability
7.3295636
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
References
Bioactivity
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