Molecule

ID:9130

General Information
Structure
Molecular Formula
C₂H₅F₂N
Molecular Mass
81.0646064
Exact Mass
81.03900561
Charge
0
InChI
InChI=1S/C2H5F2N/c3-2(4)1-5/h2H,1,5H2
InChIKey
OVRWUZYZECPJOB-UHFFFAOYSA-N
Canonic Smiles
NCC(F)F
Isomeric Smiles
C(CN)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1617
LogD (pH = 7.4)
-0.5356382
Log P
-0.15912312
Molar Refractivity
14.4792
Polarizability
5.6316657
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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