CID 28180758
PubChem CID
28180758
Structure
Molecular Formula
Status
Non-live
Molecular Weight
227.25 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
[7-oxo-7-(2,2,2-trifluoroethylamino)heptyl]azanium
InChI=1S/C9H17F3N2O/c10-9(11,12)7-14-8(15)5-3-1-2-4-6-13/h1-7,13H2,(H,14,15)/p+1
IICNMQFPFSVTLJ-UHFFFAOYSA-O
C(CCC[NH3+])CCC(=O)NCC(F)(F)F
C9H18F3N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
227.25 g/mol
Property Name
XLogP3-AA
Property Value
1.3
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
227.13712269 g/mol
Property Name
Monoisotopic Mass
Property Value
227.13712269 g/mol
Property Name
Topological Polar Surface Area
Property Value
56.7 A^2
Property Name
Heavy Atom Count
Property Value
15
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
183
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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