[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H18FNO4S — CID 168675368

IUPAC[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCOCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO4S/c1-2-16-5-3-4-12-7-9(6-10(12)13)8-17(11,14)15/h9H,2-8H2,1H3
InChIKeyMVUVRFKHVYRVIA-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.56
Rot. Bonds7

About [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675368) has the molecular formula C10H18FNO4S and a molecular weight of 267.32 g/mol. Its IUPAC name is [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675368
Molecular FormulaC10H18FNO4S
Molecular Weight267.32 g/mol
Exact Mass267.09
IUPAC Name[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCOCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO4S/c1-2-16-5-3-4-12-7-9(6-10(12)13)8-17(11,14)15/h9H,2-8H2,1H3
InChIKeyMVUVRFKHVYRVIA-UHFFFAOYSA-N
XLogP0.56
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675368) is [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCOCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MVUVRFKHVYRVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4S/c1-2-16-5-3-4-12-7-9(6-10(12)13)8-17(11,14)15/h9H,2-8H2,1H3.
What are the key properties of [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 267.32 g/mol, XLogP of 0.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).