Molecule

ID:94627

General Information
Structure
MolImage
Molecular Formula
C₇HF₁₁O
Molecular Mass
310.0646752
Exact Mass
309.98517507
Charge
0
InChI
InChI=1S/C7HF11O/c1-2-3(8,5(11,12)13)19-7(17,18)4(9,10)6(14,15)16/h1H
InChIKey
MNPYMESHIYJAGA-UHFFFAOYSA-N
Canonic Smiles
C#CC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(C(C(C(F)(F)F)(F)F)(F)F)C(C#C)(F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4420204
LogD (pH = 7.4)
4.4420204
Log P
4.4420204
Molar Refractivity
36.4826
Polarizability
13.396973
Polar Surface Area
9.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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