Molecule

ID:98413

General Information
Structure
Molecular Formula
C₃H₆F₃N
Molecular Mass
113.0816496
Exact Mass
113.04523386
Charge
0
InChI
InChI=1S/C3H6F3N/c1-2(7)3(4,5)6/h2H,7H2,1H3/t2-/m1/s1
InChIKey
SNMLKBMPULDPTA-UWTATZPHSA-N
Canonic Smiles
C[C@H](C(F)(F)F)N
Isomeric Smiles
N[C@H](C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.46884844
LogD (pH = 7.4)
0.7413482
Log P
0.7462124
Molar Refractivity
19.7877
Polarizability
7.391145
Polar Surface Area
26.02
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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