(5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone

C9H9BrFNO2 — CID 129348783

IUPAC(5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone
SMILESCc1oc(Br)cc1C(=O)N1CC(F)C1
InChIInChI=1S/C9H9BrFNO2/c1-5-7(2-8(10)14-5)9(13)12-3-6(11)4-12/h2,6H,3-4H2,1H3
InChIKeyUWZCCAULROGGHE-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.14
Rot. Bonds1

About (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone

(5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone (PubChem CID 129348783) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone
PubChem CID129348783
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name(5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone
SMILESCc1oc(Br)cc1C(=O)N1CC(F)C1
InChIInChI=1S/C9H9BrFNO2/c1-5-7(2-8(10)14-5)9(13)12-3-6(11)4-12/h2,6H,3-4H2,1H3
InChIKeyUWZCCAULROGGHE-UHFFFAOYSA-N
XLogP2.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone (CID 129348783) is (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone is Cc1oc(Br)cc1C(=O)N1CC(F)C1.
What is the InChIKey of (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is UWZCCAULROGGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-5-7(2-8(10)14-5)9(13)12-3-6(11)4-12/h2,6H,3-4H2,1H3.
What are the key properties of (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone?
(5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 262.08 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylfuran-3-yl)-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 129348783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).