Molecule

ID:8010

General Information
Structure
MolImage
Molecular Formula
C₄H₄F₆O
Molecular Mass
182.0643792
Exact Mass
182.01663407
Charge
0
InChI
InChI=1S/C4H4F6O/c5-2(6)4(9,10)1-11-3(7)8/h2-3H,1H2
InChIKey
PCTQNZRJAGLDPD-UHFFFAOYSA-N
Canonic Smiles
FC(OCC(C(F)F)(F)F)F
Isomeric Smiles
O(C(F)F)CC(C(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.218286
LogD (pH = 7.4)
2.218286
Log P
2.218286
Molar Refractivity
22.2498
Polarizability
8.732542
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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