1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone

C6H9FINO — CID 89036982

IUPAC1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone
SMILESO=C(CI)N1CCC(F)C1
InChIInChI=1S/C6H9FINO/c7-5-1-2-9(4-5)6(10)3-8/h5H,1-4H2
InChIKeyBYVMGJGFFMZDIU-UHFFFAOYSA-N
MW257.05 g/mol
LogP0.99
Rot. Bonds1

About 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone

1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone (PubChem CID 89036982) has the molecular formula C6H9FINO and a molecular weight of 257.05 g/mol. Its IUPAC name is 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone.

Molecular Properties

Compound Name1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone
PubChem CID89036982
Molecular FormulaC6H9FINO
Molecular Weight257.05 g/mol
Exact Mass256.97
IUPAC Name1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone
SMILESO=C(CI)N1CCC(F)C1
InChIInChI=1S/C6H9FINO/c7-5-1-2-9(4-5)6(10)3-8/h5H,1-4H2
InChIKeyBYVMGJGFFMZDIU-UHFFFAOYSA-N
XLogP0.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.05
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone?
The IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone (CID 89036982) is 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone.
What is the SMILES notation for 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone?
The canonical SMILES for 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone is O=C(CI)N1CCC(F)C1.
What is the InChIKey of 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone?
The InChIKey is BYVMGJGFFMZDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FINO/c7-5-1-2-9(4-5)6(10)3-8/h5H,1-4H2.
What are the key properties of 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone?
1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone has a molecular weight of 257.05 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrolidin-1-yl)-2-iodoethanone is sourced from PubChem (CID 89036982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).