4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

C10H16FNO — CID 176665691

IUPAC4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCC1=CCN(C(=O)CCCF)CC1
InChIInChI=1S/C10H16FNO/c1-9-4-7-12(8-5-9)10(13)3-2-6-11/h4H,2-3,5-8H2,1H3
InChIKeyMIPADZRRXPKLHF-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.91
Rot. Bonds3

About 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one

4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (PubChem CID 176665691) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
PubChem CID176665691
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
SMILESCC1=CCN(C(=O)CCCF)CC1
InChIInChI=1S/C10H16FNO/c1-9-4-7-12(8-5-9)10(13)3-2-6-11/h4H,2-3,5-8H2,1H3
InChIKeyMIPADZRRXPKLHF-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The IUPAC name of 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one (CID 176665691) is 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one.
What is the SMILES notation for 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The canonical SMILES for 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is CC1=CCN(C(=O)CCCF)CC1.
What is the InChIKey of 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
The InChIKey is MIPADZRRXPKLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-9-4-7-12(8-5-9)10(13)3-2-6-11/h4H,2-3,5-8H2,1H3.
What are the key properties of 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one?
4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one has a molecular weight of 185.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one is sourced from PubChem (CID 176665691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).