CID 39247026
PubChem CID
39247026
Structure
Molecular Formula
Status
Non-live
Molecular Weight
228.28 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2S)-3-(2-fluorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
InChI=1S/C12H18FNO2/c1-9(2)14-7-10(15)8-16-12-6-4-3-5-11(12)13/h3-6,9-10,14-15H,7-8H2,1-2H3/p+1/t10-/m0/s1
OGINKCGHAJEWRB-JTQLQIEISA-O
CC(C)[NH2+]C[C@@H](COC1=CC=CC=C1F)O
C12H19FNO2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
228.28 g/mol
Property Name
XLogP3
Property Value
1.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
228.13998201 g/mol
Property Name
Monoisotopic Mass
Property Value
228.13998201 g/mol
Property Name
Topological Polar Surface Area
Property Value
46.1 A^2
Property Name
Heavy Atom Count
Property Value
16
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
190
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS