Molecule

ID:95112

General Information
Structure
Molecular Formula
C₄H₇F₃
Molecular Mass
112.0935896
Exact Mass
112.04998488
Charge
0
InChI
InChI=1S/C4H7F3/c1-2-3-4(5,6)7/h2-3H2,1H3
InChIKey
LDRPULCXZDDSGE-UHFFFAOYSA-N
Canonic Smiles
CCCC(F)(F)F
Isomeric Smiles
FC(CCC)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.432162
LogD (pH = 7.4)
2.432162
Log P
2.432162
Molar Refractivity
20.9895
Polarizability
7.639815
Polar Surface Area
0.0
Rotatable Bonds
2
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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