1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one

C16H24FNO4 — CID 164788499

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCC(C)OC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1OC(C)C
InChIInChI=1S/C16H24FNO4/c1-10(2)20-9-13-15(21-11(3)4)14(17)16(22-13)18-7-5-12(19)6-8-18/h5-8,10-11,13-16H,9H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKeyLHOFQWJRSLOQAT-KLHDSHLOSA-N
MW313.37 g/mol
LogP2.30
Rot. Bonds6

About 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one

1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 164788499) has the molecular formula C16H24FNO4 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID164788499
Molecular FormulaC16H24FNO4
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCC(C)OC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1OC(C)C
InChIInChI=1S/C16H24FNO4/c1-10(2)20-9-13-15(21-11(3)4)14(17)16(22-13)18-7-5-12(19)6-8-18/h5-8,10-11,13-16H,9H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKeyLHOFQWJRSLOQAT-KLHDSHLOSA-N
XLogP2.30
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one with MolForge

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Related Compounds

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788440
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 164788466
1-[(2R,3R,5S)-3-fluoro-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 167508848
1-[(2R,3R,5S)-5-(ethoxymethyl)-3-fluorooxolan-2-yl]pyridin-4-one
CID 172569523
1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851334
Ethane;methanol;1-[5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851339
1-[5-(Methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851340
1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one
CID 156851365
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane
CID 165089096
1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one
CID 166729305
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyridin-4-one
CID 167095305
1-[(2R,4S,5R)-4-butoxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 167095313

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one (CID 164788499) is 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one is CC(C)OC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1OC(C)C.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is LHOFQWJRSLOQAT-KLHDSHLOSA-N. The full InChI is InChI=1S/C16H24FNO4/c1-10(2)20-9-13-15(21-11(3)4)14(17)16(22-13)18-7-5-12(19)6-8-18/h5-8,10-11,13-16H,9H2,1-4H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one?
1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 313.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 164788499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).