1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone

C7H8FNO — CID 70264178

IUPAC1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone
SMILESCC(=O)C1=NCC(F)C=C1
InChIInChI=1S/C7H8FNO/c1-5(10)7-3-2-6(8)4-9-7/h2-3,6H,4H2,1H3
InChIKeyKNBBZFXBEPYJCO-UHFFFAOYSA-N
MW141.14 g/mol
LogP0.92
Rot. Bonds1

About 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone

1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone (PubChem CID 70264178) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone
PubChem CID70264178
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone
SMILESCC(=O)C1=NCC(F)C=C1
InChIInChI=1S/C7H8FNO/c1-5(10)7-3-2-6(8)4-9-7/h2-3,6H,4H2,1H3
InChIKeyKNBBZFXBEPYJCO-UHFFFAOYSA-N
XLogP0.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone?
The IUPAC name of 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone (CID 70264178) is 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone is CC(=O)C1=NCC(F)C=C1.
What is the InChIKey of 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone?
The InChIKey is KNBBZFXBEPYJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-5(10)7-3-2-6(8)4-9-7/h2-3,6H,4H2,1H3.
What are the key properties of 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone?
1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone has a molecular weight of 141.14 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,3-dihydropyridin-6-yl)ethanone is sourced from PubChem (CID 70264178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).