1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one

C10H16FNO — CID 130667800

IUPAC1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H16FNO/c1-8(2)6-10(13)12-5-3-4-9(11)7-12/h4,8H,3,5-7H2,1-2H3
InChIKeyYQIOUDQYULYIQB-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.12
Rot. Bonds2

About 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one

1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one (PubChem CID 130667800) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
PubChem CID130667800
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H16FNO/c1-8(2)6-10(13)12-5-3-4-9(11)7-12/h4,8H,3,5-7H2,1-2H3
InChIKeyYQIOUDQYULYIQB-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one (CID 130667800) is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCC=C(F)C1.
What is the InChIKey of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
The InChIKey is YQIOUDQYULYIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-8(2)6-10(13)12-5-3-4-9(11)7-12/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one?
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one has a molecular weight of 185.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 130667800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).