Molecule

ID:97989

General Information
Structure
MolImage
Molecular Formula
C₉F₁₈
Molecular Mass
450.0675576
Exact Mass
449.97125796
Charge
0
InChI
InChI=1S/C9F18/c10-1(4(15,16)8(23,24)9(25,26)27)2(11,12)5(17,18)7(21,22)6(19,20)3(1,13)14
InChIKey
ITPKQVFBLQIXLT-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC1(C(C(C(F)(F)C(C1(C(F)(F)C(F)(C(F)(F)F)F)F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.044121
LogD (pH = 7.4)
6.044121
Log P
6.044121
Molar Refractivity
42.2861
Polarizability
17.26609
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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