aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone

C9H7FINO — CID 130874927

IUPACaziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
SMILESO=C(c1cc(F)ccc1I)N1CC1
InChIInChI=1S/C9H7FINO/c10-6-1-2-8(11)7(5-6)9(13)12-3-4-12/h1-2,5H,3-4H2
InChIKeyLGXFMNHULLBLPJ-UHFFFAOYSA-N
MW291.06 g/mol
LogP1.89
Rot. Bonds1

About aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone

aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone (PubChem CID 130874927) has the molecular formula C9H7FINO and a molecular weight of 291.06 g/mol. Its IUPAC name is aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone.

Molecular Properties

Compound Nameaziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
PubChem CID130874927
Molecular FormulaC9H7FINO
Molecular Weight291.06 g/mol
Exact Mass290.96
IUPAC Nameaziridin-1-yl-(5-fluoro-2-iodophenyl)methanone
SMILESO=C(c1cc(F)ccc1I)N1CC1
InChIInChI=1S/C9H7FINO/c10-6-1-2-8(11)7(5-6)9(13)12-3-4-12/h1-2,5H,3-4H2
InChIKeyLGXFMNHULLBLPJ-UHFFFAOYSA-N
XLogP1.89
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.06
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-2-iodophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 86877196
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
(5-fluoro-2-iodophenyl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 86905086
1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118403
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-fluoro-2-iodophenyl)methanone;hydrochloride
CID 120806444
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
1-[4-(2-bromo-5-fluorobenzoyl)piperazin-1-yl]ethanone
CID 24692676
(4-fluoro-2-iodophenyl)-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methanone
CID 87030189
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone
CID 172648482

Frequently Asked Questions

What is the IUPAC name of aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone?
The IUPAC name of aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone (CID 130874927) is aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone.
What is the SMILES notation for aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone?
The canonical SMILES for aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone is O=C(c1cc(F)ccc1I)N1CC1.
What is the InChIKey of aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone?
The InChIKey is LGXFMNHULLBLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FINO/c10-6-1-2-8(11)7(5-6)9(13)12-3-4-12/h1-2,5H,3-4H2.
What are the key properties of aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone?
aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone has a molecular weight of 291.06 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aziridin-1-yl-(5-fluoro-2-iodophenyl)methanone is sourced from PubChem (CID 130874927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).