Molecule
ID:8107
General Information
Molecular Formula
C₄H₅F₃
Molecular Mass
110.0777096
Exact Mass
110.03433482
Charge
0
InChI
InChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2-3H,1H3/b3-2+
InChIKey
ICTYZHTZZOUENE-NSCUHMNNSA-N
Canonic Smiles
C/C=C/C(F)(F)F
Isomeric Smiles
C(=C\C(F)(F)F)/C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.244506
LogD (pH = 7.4)
2.244506
Log P
2.244506
Molar Refractivity
22.2553
Polarizability
7.3816333
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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