Molecule

ID:100769

General Information
Structure
Molecular Formula
C₄H₂F₆O
Molecular Mass
180.0484992
Exact Mass
180.000984
Charge
0
InChI
InChI=1S/C4H2F6O/c5-3(6,7)2(1-11-2)4(8,9)10/h1H2
InChIKey
NYZSKEULTVZUAW-UHFFFAOYSA-N
Canonic Smiles
FC(C1(OC1)C(F)(F)F)(F)F
Isomeric Smiles
O1C(C1)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8467528
LogD (pH = 7.4)
1.8467528
Log P
1.8467528
Molar Refractivity
21.5035
Polarizability
8.158612
Polar Surface Area
12.53
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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