(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone

C11H11BrFNO2 — CID 157010623

IUPAC(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C11H11BrFNO2/c1-16-8-5-14(6-8)11(15)9-4-7(12)2-3-10(9)13/h2-4,8H,5-6H2,1H3
InChIKeyMQXBNSWUUUSZTR-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.06
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone

(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone (PubChem CID 157010623) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone
PubChem CID157010623
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2cc(Br)ccc2F)C1
InChIInChI=1S/C11H11BrFNO2/c1-16-8-5-14(6-8)11(15)9-4-7(12)2-3-10(9)13/h2-4,8H,5-6H2,1H3
InChIKeyMQXBNSWUUUSZTR-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63184756
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
(2,5-dibromophenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103533835
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
1-(5-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63006897
(5-bromo-2-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 55174313
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(5-bromo-2-fluorophenyl)methanone
CID 43596086
(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743982
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-bromo-2-fluorophenyl)methanone
CID 9295328
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone (CID 157010623) is (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone is COC1CN(C(=O)c2cc(Br)ccc2F)C1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone?
The InChIKey is MQXBNSWUUUSZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-16-8-5-14(6-8)11(15)9-4-7(12)2-3-10(9)13/h2-4,8H,5-6H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone?
(5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone has a molecular weight of 288.12 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(3-methoxyazetidin-1-yl)methanone is sourced from PubChem (CID 157010623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).