3-fluoro-3,4-dihydro-1H-pyridin-2-one

C5H6FNO — CID 54128847

IUPAC3-fluoro-3,4-dihydro-1H-pyridin-2-one
SMILESO=C1NC=CCC1F
InChIInChI=1S/C5H6FNO/c6-4-2-1-3-7-5(4)8/h1,3-4H,2H2,(H,7,8)
InChIKeyNSWKCPZOHFQXJC-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.36
Rot. Bonds

About 3-fluoro-3,4-dihydro-1H-pyridin-2-one

3-fluoro-3,4-dihydro-1H-pyridin-2-one (PubChem CID 54128847) has the molecular formula C5H6FNO and a molecular weight of 115.11 g/mol. Its IUPAC name is 3-fluoro-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-3,4-dihydro-1H-pyridin-2-one
PubChem CID54128847
Molecular FormulaC5H6FNO
Molecular Weight115.11 g/mol
Exact Mass115.04
IUPAC Name3-fluoro-3,4-dihydro-1H-pyridin-2-one
SMILESO=C1NC=CCC1F
InChIInChI=1S/C5H6FNO/c6-4-2-1-3-7-5(4)8/h1,3-4H,2H2,(H,7,8)
InChIKeyNSWKCPZOHFQXJC-UHFFFAOYSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-3,4-dihydro-1H-pyridin-2-one (CID 54128847) is 3-fluoro-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-3,4-dihydro-1H-pyridin-2-one is O=C1NC=CCC1F.
What is the InChIKey of 3-fluoro-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is NSWKCPZOHFQXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FNO/c6-4-2-1-3-7-5(4)8/h1,3-4H,2H2,(H,7,8).
What are the key properties of 3-fluoro-3,4-dihydro-1H-pyridin-2-one?
3-fluoro-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 115.11 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 54128847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).