1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol

C12H16FNO2 — CID 83125004

IUPAC1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol
SMILESCC(O)(c1ccc(F)cn1)C1CCOCC1
InChIInChI=1S/C12H16FNO2/c1-12(15,9-4-6-16-7-5-9)11-3-2-10(13)8-14-11/h2-3,8-9,15H,4-7H2,1H3
InChIKeyYPYMPUXZFICGAQ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.85
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol

1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol (PubChem CID 83125004) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol
PubChem CID83125004
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol
SMILESCC(O)(c1ccc(F)cn1)C1CCOCC1
InChIInChI=1S/C12H16FNO2/c1-12(15,9-4-6-16-7-5-9)11-3-2-10(13)8-14-11/h2-3,8-9,15H,4-7H2,1H3
InChIKeyYPYMPUXZFICGAQ-UHFFFAOYSA-N
XLogP1.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol (CID 83125004) is 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol is CC(O)(c1ccc(F)cn1)C1CCOCC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol?
The InChIKey is YPYMPUXZFICGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(15,9-4-6-16-7-5-9)11-3-2-10(13)8-14-11/h2-3,8-9,15H,4-7H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol?
1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol has a molecular weight of 225.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 83125004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).