[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H11F2N3O4S — CID 168675724

IUPAC[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1ncc(F)c(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H11F2N3O4S/c1-19-10-13-3-7(11)9(14-10)15-4-6(2-8(15)16)5-20(12,17)18/h3,6H,2,4-5H2,1H3
InChIKeyMXEXLEDMBWWJIQ-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.28
Rot. Bonds4

About [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675724) has the molecular formula C10H11F2N3O4S and a molecular weight of 307.28 g/mol. Its IUPAC name is [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675724
Molecular FormulaC10H11F2N3O4S
Molecular Weight307.28 g/mol
Exact Mass307.04
IUPAC Name[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCOc1ncc(F)c(N2CC(CS(=O)(=O)F)CC2=O)n1
InChIInChI=1S/C10H11F2N3O4S/c1-19-10-13-3-7(11)9(14-10)15-4-6(2-8(15)16)5-20(12,17)18/h3,6H,2,4-5H2,1H3
InChIKeyMXEXLEDMBWWJIQ-UHFFFAOYSA-N
XLogP0.28
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675724) is [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is COc1ncc(F)c(N2CC(CS(=O)(=O)F)CC2=O)n1.
What is the InChIKey of [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MXEXLEDMBWWJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O4S/c1-19-10-13-3-7(11)9(14-10)15-4-6(2-8(15)16)5-20(12,17)18/h3,6H,2,4-5H2,1H3.
What are the key properties of [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 307.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).