Compound Information
Helptop of page
CID 5771265
Create Date: 2005-08-11
Deprecated compound

No substance information
Properties and Descriptors
Helptop of page
Properties
Molecular Weight 181.149478 [g/mol]
Molecular FormulaC6H11FO5
XLogP3-AA-1.6
H-Bond Donor4
H-Bond Acceptor6
Rotatable Bond Count1
Exact Mass181.061586
MonoIsotopic Mass181.061586
Topological Polar Surface Area90.2
Heavy Atom Count12
Formal Charge0
Complexity155
Isotope Atom Count1
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Feature 3D Acceptor Count5
Feature 3D Donor Count4
Feature 3D Ring Count1
Effective Rotor Count2.2
Conformer Sampling RMSD0.6
CID Conformer Count24
Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES