Molecule

ID:96889

General Information
Structure
Molecular Formula
C₄F₈O
Molecular Mass
216.0294256
Exact Mass
215.98214038
Charge
0
InChI
InChI=1S/C4F8O/c5-2(6,4(10,11)12)1(13)3(7,8)9
InChIKey
QJPLLYVRTUXAHZ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(F)(F)F)(F)F)C(F)(F)F
Isomeric Smiles
O=C(C(C(F)(F)F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0715797
LogD (pH = 7.4)
3.0715797
Log P
3.0715797
Molar Refractivity
22.8832
Polarizability
8.5727215
Polar Surface Area
17.07
Rotatable Bonds
3
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
References
Bioactivity
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