1-(2-fluoroethyl)-4-sulfanylpyridin-2-one

C7H8FNOS — CID 54376588

IUPAC1-(2-fluoroethyl)-4-sulfanylpyridin-2-one
SMILESO=c1cc(S)ccn1CCF
InChIInChI=1S/C7H8FNOS/c8-2-4-9-3-1-6(11)5-7(9)10/h1,3,5,11H,2,4H2
InChIKeyUWXXGWJOXSVIJV-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.11
Rot. Bonds2

About 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one

1-(2-fluoroethyl)-4-sulfanylpyridin-2-one (PubChem CID 54376588) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-sulfanylpyridin-2-one
PubChem CID54376588
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name1-(2-fluoroethyl)-4-sulfanylpyridin-2-one
SMILESO=c1cc(S)ccn1CCF
InChIInChI=1S/C7H8FNOS/c8-2-4-9-3-1-6(11)5-7(9)10/h1,3,5,11H,2,4H2
InChIKeyUWXXGWJOXSVIJV-UHFFFAOYSA-N
XLogP1.11
TPSA22.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one?
The IUPAC name of 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one (CID 54376588) is 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one.
What is the SMILES notation for 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one?
The canonical SMILES for 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one is O=c1cc(S)ccn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one?
The InChIKey is UWXXGWJOXSVIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c8-2-4-9-3-1-6(11)5-7(9)10/h1,3,5,11H,2,4H2.
What are the key properties of 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one?
1-(2-fluoroethyl)-4-sulfanylpyridin-2-one has a molecular weight of 173.21 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-sulfanylpyridin-2-one is sourced from PubChem (CID 54376588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).