1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone

C7H10FI2NO — CID 163809281

IUPAC1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone
SMILESC=IC1(F)CCN(C(=O)CI)C1
InChIInChI=1S/C7H10FI2NO/c1-10-7(8)2-3-11(5-7)6(12)4-9/h1-5H2
InChIKeyNLVMNPLHQDRJMQ-UHFFFAOYSA-N
MW396.97 g/mol
LogP1.72
Rot. Bonds2

About 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone

1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone (PubChem CID 163809281) has the molecular formula C7H10FI2NO and a molecular weight of 396.97 g/mol. Its IUPAC name is 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone.

Molecular Properties

Compound Name1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone
PubChem CID163809281
Molecular FormulaC7H10FI2NO
Molecular Weight396.97 g/mol
Exact Mass396.88
IUPAC Name1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone
SMILESC=IC1(F)CCN(C(=O)CI)C1
InChIInChI=1S/C7H10FI2NO/c1-10-7(8)2-3-11(5-7)6(12)4-9/h1-5H2
InChIKeyNLVMNPLHQDRJMQ-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.97
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone?
The IUPAC name of 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone (CID 163809281) is 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone.
What is the SMILES notation for 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone?
The canonical SMILES for 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone is C=IC1(F)CCN(C(=O)CI)C1.
What is the InChIKey of 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone?
The InChIKey is NLVMNPLHQDRJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FI2NO/c1-10-7(8)2-3-11(5-7)6(12)4-9/h1-5H2.
What are the key properties of 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone?
1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone has a molecular weight of 396.97 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-3-(methylidene-λ3-iodanyl)pyrrolidin-1-yl]-2-iodoethanone is sourced from PubChem (CID 163809281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).