2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine

C10H19FN2 — CID 162741789

IUPAC2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCN1CCC(CN2CCCC2F)C1
InChIInChI=1S/C10H19FN2/c1-12-6-4-9(7-12)8-13-5-2-3-10(13)11/h9-10H,2-8H2,1H3
InChIKeyNLYSNXXZEIIETA-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.33
Rot. Bonds2

About 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine

2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine (PubChem CID 162741789) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine
PubChem CID162741789
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine
SMILESCN1CCC(CN2CCCC2F)C1
InChIInChI=1S/C10H19FN2/c1-12-6-4-9(7-12)8-13-5-2-3-10(13)11/h9-10H,2-8H2,1H3
InChIKeyNLYSNXXZEIIETA-UHFFFAOYSA-N
XLogP1.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The IUPAC name of 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine (CID 162741789) is 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The canonical SMILES for 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine is CN1CCC(CN2CCCC2F)C1.
What is the InChIKey of 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine?
The InChIKey is NLYSNXXZEIIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-12-6-4-9(7-12)8-13-5-2-3-10(13)11/h9-10H,2-8H2,1H3.
What are the key properties of 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine?
2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine has a molecular weight of 186.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 162741789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).