Molecule

ID:12137

General Information
Structure
MolImage
Molecular Formula
C₃H₄F₄
Molecular Mass
116.0574728
Exact Mass
116.02491301
Charge
0
InChI
InChI=1S/C3H4F4/c1-3(6,7)2(4)5/h2H,1H3
InChIKey
XWUSALIIUZARQE-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)C)F
Isomeric Smiles
C(C)(C(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.3522592
LogD (pH = 7.4)
1.3522592
Log P
1.3522592
Molar Refractivity
16.1116
Polarizability
6.0072064
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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