1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane

C14H24FNO4 — CID 165089096

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane
SMILESC.C.COC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1OC
InChIInChI=1S/C12H16FNO4.2CH4/c1-16-7-9-11(17-2)10(13)12(18-9)14-5-3-8(15)4-6-14;;/h3-6,9-12H,7H2,1-2H3;2*1H4/t9-,10-,11-,12-;;/m1../s1
InChIKeyWJZQSDVPCLGKMB-IZRITHPOSA-N
MW289.35 g/mol
LogP2.02
Rot. Bonds4

About 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane

1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane (PubChem CID 165089096) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane
PubChem CID165089096
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane
SMILESC.C.COC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1OC
InChIInChI=1S/C12H16FNO4.2CH4/c1-16-7-9-11(17-2)10(13)12(18-9)14-5-3-8(15)4-6-14;;/h3-6,9-12H,7H2,1-2H3;2*1H4/t9-,10-,11-,12-;;/m1../s1
InChIKeyWJZQSDVPCLGKMB-IZRITHPOSA-N
XLogP2.02
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane (CID 165089096) is 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane is C.C.COC[C@H]1O[C@@H](n2ccc(=O)cc2)[C@H](F)[C@@H]1OC.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane?
The InChIKey is WJZQSDVPCLGKMB-IZRITHPOSA-N. The full InChI is InChI=1S/C12H16FNO4.2CH4/c1-16-7-9-11(17-2)10(13)12(18-9)14-5-3-8(15)4-6-14;;/h3-6,9-12H,7H2,1-2H3;2*1H4/t9-,10-,11-,12-;;/m1../s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane?
1-[(2R,3R,4R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane has a molecular weight of 289.35 g/mol, XLogP of 2.02, 4 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-methoxy-5-(methoxymethyl)oxolan-2-yl]pyridin-4-one;methane is sourced from PubChem (CID 165089096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).