1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone

C11H12FNOS — CID 154752020

IUPAC1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC=C(F)C1
InChIInChI=1S/C11H12FNOS/c12-10-2-1-4-13(7-10)11(14)6-9-3-5-15-8-9/h2-3,5,8H,1,4,6-7H2
InChIKeyYMTGDEOLULMRAP-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.38
Rot. Bonds2

About 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone

1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone (PubChem CID 154752020) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone
PubChem CID154752020
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC=C(F)C1
InChIInChI=1S/C11H12FNOS/c12-10-2-1-4-13(7-10)11(14)6-9-3-5-15-8-9/h2-3,5,8H,1,4,6-7H2
InChIKeyYMTGDEOLULMRAP-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone (CID 154752020) is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC=C(F)C1.
What is the InChIKey of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone?
The InChIKey is YMTGDEOLULMRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c12-10-2-1-4-13(7-10)11(14)6-9-3-5-15-8-9/h2-3,5,8H,1,4,6-7H2.
What are the key properties of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone?
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone has a molecular weight of 225.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 154752020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).