[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine

C11H14FIN2 — CID 79766665

IUPAC[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccc(F)cc2I)C1
InChIInChI=1S/C11H14FIN2/c12-9-1-2-11(10(13)5-9)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyUXTGQMXFPUXALA-UHFFFAOYSA-N
MW320.15 g/mol
LogP2.22
Rot. Bonds2

About [1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine

[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine (PubChem CID 79766665) has the molecular formula C11H14FIN2 and a molecular weight of 320.15 g/mol. Its IUPAC name is [1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine
PubChem CID79766665
Molecular FormulaC11H14FIN2
Molecular Weight320.15 g/mol
Exact Mass320.02
IUPAC Name[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2ccc(F)cc2I)C1
InChIInChI=1S/C11H14FIN2/c12-9-1-2-11(10(13)5-9)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeyUXTGQMXFPUXALA-UHFFFAOYSA-N
XLogP2.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
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-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine (CID 79766665) is [1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2ccc(F)cc2I)C1.
What is the InChIKey of [1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is UXTGQMXFPUXALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FIN2/c12-9-1-2-11(10(13)5-9)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2.
What are the key properties of [1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine?
[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 320.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 79766665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).