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CID 51891547

PubChem CID
51891547
Structure
CID 51891547_small.png
Molecular Formula
Status
Non-live
Molecular Weight
237.27 g/mol
Dates
  • Create:
    2011-05-20

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 51891547.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-fluoro-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide

2.1.2 InChI

InChI=1S/C13H16FNO2/c14-12-6-2-1-5-11(12)13(16)15-8-7-10-4-3-9-17-10/h1-2,5-6,10H,3-4,7-9H2,(H,15,16)/t10-/m1/s1

2.1.3 InChIKey

TZHVVEGBSNLHCY-SNVBAGLBSA-N

2.1.4 SMILES

C1C[C@@H](OC1)CCNC(=O)C2=CC=CC=C2F

2.2 Molecular Formula

C13H16FNO2

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
237.27 g/mol
Property Name
XLogP3-AA
Property Value
2.1
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
4
Property Name
Exact Mass
Property Value
237.11650692 g/mol
Property Name
Monoisotopic Mass
Property Value
237.11650692 g/mol
Property Name
Topological Polar Surface Area
Property Value
38.3 A^2
Property Name
Heavy Atom Count
Property Value
17
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
260
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

5 Information Sources

CONTENTS