CID 60747522
PubChem CID
60747522
Structure
Molecular Formula
Status
Non-live
Molecular Weight
305.27 g/mol
Dates
- Create:2012-10-18
Chemical Structure Depiction
[2-(2-hydroxyethyl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
InChI=1S/C14H15F4NO2/c15-10-7-9(11(16)13(18)12(10)17)14(21)19-5-2-1-3-8(19)4-6-20/h7-8,20H,1-6H2
NINGEHSSYRWQBJ-UHFFFAOYSA-N
C1CCN(C(C1)CCO)C(=O)C2=CC(=C(C(=C2F)F)F)F
C14H15F4NO2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
305.27 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
305.10389137 g/mol
Property Name
Monoisotopic Mass
Property Value
305.10389137 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.5 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
371
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
1
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
Old substance
Old substance
CONTENTS