1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole

C10H17FN2 — CID 130606507

IUPAC1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole
SMILESFCCN1CCC(N2CC=CC2)C1
InChIInChI=1S/C10H17FN2/c11-4-8-12-7-3-10(9-12)13-5-1-2-6-13/h1-2,10H,3-9H2
InChIKeyPLSSOQYFSYIFEV-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.90
Rot. Bonds3

About 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole

1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole (PubChem CID 130606507) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole
PubChem CID130606507
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole
SMILESFCCN1CCC(N2CC=CC2)C1
InChIInChI=1S/C10H17FN2/c11-4-8-12-7-3-10(9-12)13-5-1-2-6-13/h1-2,10H,3-9H2
InChIKeyPLSSOQYFSYIFEV-UHFFFAOYSA-N
XLogP0.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole?
The IUPAC name of 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole (CID 130606507) is 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole.
What is the SMILES notation for 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole?
The canonical SMILES for 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole is FCCN1CCC(N2CC=CC2)C1.
What is the InChIKey of 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole?
The InChIKey is PLSSOQYFSYIFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c11-4-8-12-7-3-10(9-12)13-5-1-2-6-13/h1-2,10H,3-9H2.
What are the key properties of 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole?
1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole has a molecular weight of 184.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2,5-dihydropyrrole is sourced from PubChem (CID 130606507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).