1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one

C12H16FNO3 — CID 172569523

IUPAC1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one
SMILESCCOC[C@@H]1C[C@@H](F)[C@H](n2ccc(=O)cc2)O1
InChIInChI=1S/C12H16FNO3/c1-2-16-8-10-7-11(13)12(17-10)14-5-3-9(15)4-6-14/h3-6,10-12H,2,7-8H2,1H3/t10-,11+,12+/m0/s1
InChIKeyNDAMQMIQVDFFED-QJPTWQEYSA-N
MW241.26 g/mol
LogP1.51
Rot. Bonds4

About 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one

1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one (PubChem CID 172569523) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one
PubChem CID172569523
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one
SMILESCCOC[C@@H]1C[C@@H](F)[C@H](n2ccc(=O)cc2)O1
InChIInChI=1S/C12H16FNO3/c1-2-16-8-10-7-11(13)12(17-10)14-5-3-9(15)4-6-14/h3-6,10-12H,2,7-8H2,1H3/t10-,11+,12+/m0/s1
InChIKeyNDAMQMIQVDFFED-QJPTWQEYSA-N
XLogP1.51
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one (CID 172569523) is 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one is CCOC[C@@H]1C[C@@H](F)[C@H](n2ccc(=O)cc2)O1.
What is the InChIKey of 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one?
The InChIKey is NDAMQMIQVDFFED-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-2-16-8-10-7-11(13)12(17-10)14-5-3-9(15)4-6-14/h3-6,10-12H,2,7-8H2,1H3/t10-,11+,12+/m0/s1.
What are the key properties of 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one?
1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one has a molecular weight of 241.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 172569523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).