(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide

C6H9FINO2 — CID 89331799

IUPAC(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide
SMILESCO[C@@H]1CN(C(=O)I)CC1F
InChIInChI=1S/C6H9FINO2/c1-11-5-3-9(6(8)10)2-4(5)7/h4-5H,2-3H2,1H3/t4?,5-/m1/s1
InChIKeyTZECJVMUDCQSPQ-BRJRFNKRSA-N
MW273.05 g/mol
LogP1.21
Rot. Bonds1

About (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide

(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide (PubChem CID 89331799) has the molecular formula C6H9FINO2 and a molecular weight of 273.05 g/mol. Its IUPAC name is (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide.

Molecular Properties

Compound Name(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide
PubChem CID89331799
Molecular FormulaC6H9FINO2
Molecular Weight273.05 g/mol
Exact Mass272.97
IUPAC Name(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide
SMILESCO[C@@H]1CN(C(=O)I)CC1F
InChIInChI=1S/C6H9FINO2/c1-11-5-3-9(6(8)10)2-4(5)7/h4-5H,2-3H2,1H3/t4?,5-/m1/s1
InChIKeyTZECJVMUDCQSPQ-BRJRFNKRSA-N
XLogP1.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.05
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-1-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 134827899
(5R)-5-[(3R)-3-fluoro-4-methoxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 121265380
(2R)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121265292
benzyl 3-fluoro-4-methoxypyrrolidine-1-carboxylate
CID 20746063
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
2-amino-2-(diaminomethylamino)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]ethanone
CID 121265358
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(3-methylimidazolidin-4-yl)methanone
CID 121265296
(3,4-dimethoxypyrrolidin-1-yl)-piperidin-1-ylmethanone
CID 103532063
1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-2-pyrazolidin-3-ylethanone
CID 121265344
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
2-(3-fluoro-4-methoxypiperidin-1-yl)propanamide
CID 118208339

Frequently Asked Questions

What is the IUPAC name of (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide?
The IUPAC name of (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide (CID 89331799) is (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide.
What is the SMILES notation for (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide?
The canonical SMILES for (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide is CO[C@@H]1CN(C(=O)I)CC1F.
What is the InChIKey of (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide?
The InChIKey is TZECJVMUDCQSPQ-BRJRFNKRSA-N. The full InChI is InChI=1S/C6H9FINO2/c1-11-5-3-9(6(8)10)2-4(5)7/h4-5H,2-3H2,1H3/t4?,5-/m1/s1.
What are the key properties of (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide?
(4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide has a molecular weight of 273.05 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-fluoro-4-methoxypyrrolidine-1-carbonyl iodide is sourced from PubChem (CID 89331799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).