Molecule

ID:11810

General Information
Structure
MolImage
Molecular Formula
C₅H₇F₃O
Molecular Mass
140.1036896
Exact Mass
140.0448995
Charge
0
InChI
InChI=1S/C5H7F3O/c1-2-3-9-4-5(6,7)8/h2H,1,3-4H2
InChIKey
NOTCQEKRIPQPAW-UHFFFAOYSA-N
Canonic Smiles
C=CCOCC(F)(F)F
Isomeric Smiles
O(CC(F)(F)F)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8108954
LogD (pH = 7.4)
1.8108954
Log P
1.8108954
Molar Refractivity
27.6253
Polarizability
9.942092
Polar Surface Area
9.23
Rotatable Bonds
4
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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