Molecule
ID:8928
General Information
Molecular Formula
C₇H₁₁F₆N
Molecular Mass
223.1593592
Exact Mass
223.07956868
Charge
0
InChI
InChI=1S/C4H11N.C3F6/c1-3-5-4-2;4-1(2(5)6)3(7,8)9/h5H,3-4H2,1-2H3;
InChIKey
OBDFQUSHNJZDSN-UHFFFAOYSA-N
Canonic Smiles
FC(=C(C(F)(F)F)F)F.CCNCC
Isomeric Smiles
N(CC)CC.C(=C(C(F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8124412
LogD (pH = 7.4)
1.8124412
Log P
1.8124412
Molar Refractivity
27.8392
Polarizability
6.0836596
Polar Surface Area
0.0
Rotatable Bonds
3
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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