N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride

C8H14FIN2 — CID 166884193

IUPACN-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride
SMILESF/C(=N\CCCI)N1CCCC1
InChIInChI=1S/C8H14FIN2/c9-8(11-5-3-4-10)12-6-1-2-7-12/h1-7H2/b11-8+
InChIKeyAOVRYSWESRIRCS-DHZHZOJOSA-N
MW284.12 g/mol
LogP2.23
Rot. Bonds3

About N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride

N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride (PubChem CID 166884193) has the molecular formula C8H14FIN2 and a molecular weight of 284.12 g/mol. Its IUPAC name is N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride.

Molecular Properties

Compound NameN-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride
PubChem CID166884193
Molecular FormulaC8H14FIN2
Molecular Weight284.12 g/mol
Exact Mass284.02
IUPAC NameN-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride
SMILESF/C(=N\CCCI)N1CCCC1
InChIInChI=1S/C8H14FIN2/c9-8(11-5-3-4-10)12-6-1-2-7-12/h1-7H2/b11-8+
InChIKeyAOVRYSWESRIRCS-DHZHZOJOSA-N
XLogP2.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride?
The IUPAC name of N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride (CID 166884193) is N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride.
What is the SMILES notation for N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride?
The canonical SMILES for N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride is F/C(=N\CCCI)N1CCCC1.
What is the InChIKey of N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride?
The InChIKey is AOVRYSWESRIRCS-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H14FIN2/c9-8(11-5-3-4-10)12-6-1-2-7-12/h1-7H2/b11-8+.
What are the key properties of N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride?
N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride has a molecular weight of 284.12 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodopropyl)pyrrolidine-1-carboximidoyl fluoride is sourced from PubChem (CID 166884193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).