CID 52344636
PubChem CID
52344636
Structure
Molecular Formula
Status
Non-live
Molecular Weight
271.33 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
[(1S)-1-(2,5-difluorophenyl)ethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
InChI=1S/C14H20F2N2O/c1-4-7-17-14(19)9-18(3)10(2)12-8-11(15)5-6-13(12)16/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,19)/p+1/t10-/m0/s1
MQYWXWKEFXIFML-JTQLQIEISA-O
CCCNC(=O)C[NH+](C)[C@@H](C)C1=C(C=CC(=C1)F)F
C14H21F2N2O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
271.33 g/mol
Property Name
XLogP3-AA
Property Value
2.6
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
271.16219462 g/mol
Property Name
Monoisotopic Mass
Property Value
271.16219462 g/mol
Property Name
Topological Polar Surface Area
Property Value
33.5 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
289
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