[1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C13H24FNO6S — CID 168675370

IUPAC[1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCOCCOCCOCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H24FNO6S/c1-2-19-5-6-21-8-7-20-4-3-15-10-12(9-13(15)16)11-22(14,17)18/h12H,2-11H2,1H3
InChIKeyNEVGSKYMJCKTIQ-UHFFFAOYSA-N
MW341.40 g/mol
LogP0.20
Rot. Bonds12

About [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675370) has the molecular formula C13H24FNO6S and a molecular weight of 341.40 g/mol. Its IUPAC name is [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675370
Molecular FormulaC13H24FNO6S
Molecular Weight341.40 g/mol
Exact Mass341.13
IUPAC Name[1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCOCCOCCOCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H24FNO6S/c1-2-19-5-6-21-8-7-20-4-3-15-10-12(9-13(15)16)11-22(14,17)18/h12H,2-11H2,1H3
InChIKeyNEVGSKYMJCKTIQ-UHFFFAOYSA-N
XLogP0.20
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675370) is [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCOCCOCCOCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is NEVGSKYMJCKTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO6S/c1-2-19-5-6-21-8-7-20-4-3-15-10-12(9-13(15)16)11-22(14,17)18/h12H,2-11H2,1H3.
What are the key properties of [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 341.40 g/mol, XLogP of 0.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).