2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine

C9H18FNO2S — CID 106640176

IUPAC2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine
SMILESCS(=O)(=O)CCCC(F)C1CCCN1
InChIInChI=1S/C9H18FNO2S/c1-14(12,13)7-3-4-8(10)9-5-2-6-11-9/h8-9,11H,2-7H2,1H3
InChIKeyULFAIXLRDZIILN-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.90
Rot. Bonds5

About 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine

2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine (PubChem CID 106640176) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine
PubChem CID106640176
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine
SMILESCS(=O)(=O)CCCC(F)C1CCCN1
InChIInChI=1S/C9H18FNO2S/c1-14(12,13)7-3-4-8(10)9-5-2-6-11-9/h8-9,11H,2-7H2,1H3
InChIKeyULFAIXLRDZIILN-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine?
The IUPAC name of 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine (CID 106640176) is 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine.
What is the SMILES notation for 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine?
The canonical SMILES for 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine is CS(=O)(=O)CCCC(F)C1CCCN1.
What is the InChIKey of 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine?
The InChIKey is ULFAIXLRDZIILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-14(12,13)7-3-4-8(10)9-5-2-6-11-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine?
2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine has a molecular weight of 223.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-4-methylsulfonylbutyl)pyrrolidine is sourced from PubChem (CID 106640176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).