3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

C11H14FNO2 — CID 126793064

IUPAC3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1=CCOCC1)N1CCC=C(F)C1
InChIInChI=1S/C11H14FNO2/c12-10-2-1-5-13(8-10)11(14)9-3-6-15-7-4-9/h2-3H,1,4-8H2
InChIKeyIISNCHAVASUWSX-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.42
Rot. Bonds1

About 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 126793064) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID126793064
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1=CCOCC1)N1CCC=C(F)C1
InChIInChI=1S/C11H14FNO2/c12-10-2-1-5-13(8-10)11(14)9-3-6-15-7-4-9/h2-3H,1,4-8H2
InChIKeyIISNCHAVASUWSX-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 126793064) is 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1=CCOCC1)N1CCC=C(F)C1.
What is the InChIKey of 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is IISNCHAVASUWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-10-2-1-5-13(8-10)11(14)9-3-6-15-7-4-9/h2-3H,1,4-8H2.
What are the key properties of 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 211.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-4-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 126793064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).