Molecule

ID:94610

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃
Molecular Mass
110.0777096
Exact Mass
110.03433482
Charge
0
InChI
InChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2H,1,3H2
InChIKey
WCNKHTIPPVQEQW-UHFFFAOYSA-N
Canonic Smiles
C=CCC(F)(F)F
Isomeric Smiles
FC(CC=C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.128174
LogD (pH = 7.4)
2.128174
Log P
2.128174
Molar Refractivity
21.0336
Polarizability
7.3807178
Polar Surface Area
0.0
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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