2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate

C11H19FINO3 — CID 163227397

IUPAC2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate
SMILESCOC=C1CC(NC(=O)OC(C)(C)I(C)F)C1
InChIInChI=1S/C11H19FINO3/c1-11(2,13(3)12)17-10(15)14-9-5-8(6-9)7-16-4/h7,9H,5-6H2,1-4H3,(H,14,15)/b8-7-
InChIKeyLEFLCLOZRGWWGW-FPLPWBNLSA-N
MW359.18 g/mol
LogP3.16
Rot. Bonds4

About 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate

2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate (PubChem CID 163227397) has the molecular formula C11H19FINO3 and a molecular weight of 359.18 g/mol. Its IUPAC name is 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate.

Molecular Properties

Compound Name2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate
PubChem CID163227397
Molecular FormulaC11H19FINO3
Molecular Weight359.18 g/mol
Exact Mass359.04
IUPAC Name2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate
SMILESCOC=C1CC(NC(=O)OC(C)(C)I(C)F)C1
InChIInChI=1S/C11H19FINO3/c1-11(2,13(3)12)17-10(15)14-9-5-8(6-9)7-16-4/h7,9H,5-6H2,1-4H3,(H,14,15)/b8-7-
InChIKeyLEFLCLOZRGWWGW-FPLPWBNLSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate?
The IUPAC name of 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate (CID 163227397) is 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate.
What is the SMILES notation for 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate?
The canonical SMILES for 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate is COC=C1CC(NC(=O)OC(C)(C)I(C)F)C1.
What is the InChIKey of 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate?
The InChIKey is LEFLCLOZRGWWGW-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H19FINO3/c1-11(2,13(3)12)17-10(15)14-9-5-8(6-9)7-16-4/h7,9H,5-6H2,1-4H3,(H,14,15)/b8-7-.
What are the key properties of 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate?
2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate has a molecular weight of 359.18 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro(methyl)-λ3-iodanyl]propan-2-yl N-[3-(methoxymethylidene)cyclobutyl]carbamate is sourced from PubChem (CID 163227397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).