Molecule

ID:99585

General Information
Structure
MolImage
Molecular Formula
C₄H₆F₃NO
Molecular Mass
141.0917496
Exact Mass
141.04014848
Charge
0
InChI
InChI=1S/C4H6F3NO/c5-4(6,7)2-1-3(8)9/h1-2H2,(H2,8,9)
InChIKey
RRIHBAAFBONJDL-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CCC(F)(F)F
Isomeric Smiles
FC(CCC(=O)N)(F)F
Calculated Properties
JChem
Acid pKa
12.660123
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.3049777
LogD (pH = 7.4)
0.30497986
Log P
0.30497774
Molar Refractivity
24.4771
Polarizability
9.075338
Polar Surface Area
43.09
Rotatable Bonds
3
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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