2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol

C14H20FNO2 — CID 112585844

IUPAC2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol
SMILESCCC(O)(CC1CCOCC1)c1ccc(F)cn1
InChIInChI=1S/C14H20FNO2/c1-2-14(17,9-11-5-7-18-8-6-11)13-4-3-12(15)10-16-13/h3-4,10-11,17H,2,5-9H2,1H3
InChIKeyFGWBEXFZMYCTIF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.63
Rot. Bonds4

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

2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol (PubChem CID 112585844) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol
PubChem CID112585844
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol
SMILESCCC(O)(CC1CCOCC1)c1ccc(F)cn1
InChIInChI=1S/C14H20FNO2/c1-2-14(17,9-11-5-7-18-8-6-11)13-4-3-12(15)10-16-13/h3-4,10-11,17H,2,5-9H2,1H3
InChIKeyFGWBEXFZMYCTIF-UHFFFAOYSA-N
XLogP2.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol (CID 112585844) is 2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol is CCC(O)(CC1CCOCC1)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol?
The InChIKey is FGWBEXFZMYCTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-14(17,9-11-5-7-18-8-6-11)13-4-3-12(15)10-16-13/h3-4,10-11,17H,2,5-9H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol?
2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol has a molecular weight of 253.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol is sourced from PubChem (CID 112585844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).