(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone

C11H11FINO — CID 172646487

IUPAC(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C11H11FINO/c1-7-5-14(6-7)11(15)9-3-2-8(12)4-10(9)13/h2-4,7H,5-6H2,1H3
InChIKeyJZYYVLMLTMOZAY-UHFFFAOYSA-N
MW319.12 g/mol
LogP2.52
Rot. Bonds1

About (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone

(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone (PubChem CID 172646487) has the molecular formula C11H11FINO and a molecular weight of 319.12 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
PubChem CID172646487
Molecular FormulaC11H11FINO
Molecular Weight319.12 g/mol
Exact Mass318.99
IUPAC Name(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(F)cc2I)C1
InChIInChI=1S/C11H11FINO/c1-7-5-14(6-7)11(15)9-3-2-8(12)4-10(9)13/h2-4,7H,5-6H2,1H3
InChIKeyJZYYVLMLTMOZAY-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylamino)azetidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 172646725
(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646486
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
(3-aminopyrrolidin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103806148
(4-fluoro-2-iodophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314285
(2,2-dimethylthiomorpholin-4-yl)-(4-fluoro-2-iodophenyl)methanone
CID 103739958
1-(5-fluoro-2-iodobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122118403
1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
CID 113236236
(2,3-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 120569604
(2,5-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 113363045
(4-fluoro-2-iodophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344059

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone?
The IUPAC name of (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone (CID 172646487) is (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone is CC1CN(C(=O)c2ccc(F)cc2I)C1.
What is the InChIKey of (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone?
The InChIKey is JZYYVLMLTMOZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FINO/c1-7-5-14(6-7)11(15)9-3-2-8(12)4-10(9)13/h2-4,7H,5-6H2,1H3.
What are the key properties of (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone?
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone has a molecular weight of 319.12 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 172646487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).