Molecule
ID:38364
General Information
Molecular Formula
C₉H₁₆F₂
Molecular Mass
162.2201464
Exact Mass
162.12200695
Charge
0
InChI
InChI=1S/C9H16F2/c1-7(2)8-3-5-9(10,11)6-4-8/h7-8H,3-6H2,1-2H3
InChIKey
BYKYPYPHULOVEW-UHFFFAOYSA-N
Canonic Smiles
CC(C1CCC(CC1)(F)F)C
Isomeric Smiles
C1(CCC(CC1)C(C)C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.172875
LogD (pH = 7.4)
3.172875
Log P
3.172875
Molar Refractivity
41.9
Polarizability
16.009092
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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