Molecule
ID:93627
General Information
Molecular Formula
C₇H₁₁F₃
Molecular Mass
152.1574496
Exact Mass
152.08128501
Charge
0
InChI
InChI=1S/C7H11F3/c1-2-3-4-5-6-7(8,9)10/h5-6H,2-4H2,1H3
InChIKey
QRILSXJWCCVOIT-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/C(F)(F)F
Isomeric Smiles
FC(F)(F)/C=C/CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.578212
LogD (pH = 7.4)
3.578212
Log P
3.578212
Molar Refractivity
36.0583
Polarizability
12.691064
Polar Surface Area
0.0
Rotatable Bonds
4
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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