Molecule

ID:106237

General Information
Structure
MolImage
Molecular Formula
C₂HF₃O₂
Molecular Mass
114.0233496
Exact Mass
113.99286393
Charge
0
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
DTQVDTLACAAQTR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(F)F
Isomeric Smiles
OC(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
0.9503416
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5809014
LogD (pH = 7.4)
-2.6199632
Log P
0.90898293
Molar Refractivity
13.6539
Polarizability
5.227252
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation