[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite

C9H15FINO — CID 164904219

IUPAC[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
SMILESFC1CCN(CC2(COI)CC2)C1
InChIInChI=1S/C9H15FINO/c10-8-1-4-12(5-8)6-9(2-3-9)7-13-11/h8H,1-7H2
InChIKeyZKPDENXWUQRIFD-UHFFFAOYSA-N
MW299.13 g/mol
LogP2.18
Rot. Bonds4

About [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite

[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite (PubChem CID 164904219) has the molecular formula C9H15FINO and a molecular weight of 299.13 g/mol. Its IUPAC name is [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite.

Molecular Properties

Compound Name[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
PubChem CID164904219
Molecular FormulaC9H15FINO
Molecular Weight299.13 g/mol
Exact Mass299.02
IUPAC Name[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
SMILESFC1CCN(CC2(COI)CC2)C1
InChIInChI=1S/C9H15FINO/c10-8-1-4-12(5-8)6-9(2-3-9)7-13-11/h8H,1-7H2
InChIKeyZKPDENXWUQRIFD-UHFFFAOYSA-N
XLogP2.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite?
The IUPAC name of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite (CID 164904219) is [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite.
What is the SMILES notation for [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite?
The canonical SMILES for [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite is FC1CCN(CC2(COI)CC2)C1.
What is the InChIKey of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite?
The InChIKey is ZKPDENXWUQRIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FINO/c10-8-1-4-12(5-8)6-9(2-3-9)7-13-11/h8H,1-7H2.
What are the key properties of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite?
[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite has a molecular weight of 299.13 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite is sourced from PubChem (CID 164904219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).