4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile

C10H9FN2O — CID 172581543

IUPAC4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(F)c([C@@H]2CCON2)c1
InChIInChI=1S/C10H9FN2O/c11-9-2-1-7(6-12)5-8(9)10-3-4-14-13-10/h1-2,5,10,13H,3-4H2/t10-/m0/s1
InChIKeyVGDHFMNDWGDDHG-JTQLQIEISA-N
MW192.19 g/mol
LogP1.66
Rot. Bonds1

About 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile

4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile (PubChem CID 172581543) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile
PubChem CID172581543
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(F)c([C@@H]2CCON2)c1
InChIInChI=1S/C10H9FN2O/c11-9-2-1-7(6-12)5-8(9)10-3-4-14-13-10/h1-2,5,10,13H,3-4H2/t10-/m0/s1
InChIKeyVGDHFMNDWGDDHG-JTQLQIEISA-N
XLogP1.66
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile?
The IUPAC name of 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile (CID 172581543) is 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile is N#Cc1ccc(F)c([C@@H]2CCON2)c1.
What is the InChIKey of 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile?
The InChIKey is VGDHFMNDWGDDHG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H9FN2O/c11-9-2-1-7(6-12)5-8(9)10-3-4-14-13-10/h1-2,5,10,13H,3-4H2/t10-/m0/s1.
What are the key properties of 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile?
4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile has a molecular weight of 192.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3S)-1,2-oxazolidin-3-yl]benzonitrile is sourced from PubChem (CID 172581543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).