3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine

C11H9ClFNO — CID 114736013

IUPAC3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine
SMILESFC1(c2cc3cccc(Cl)c3o2)CNC1
InChIInChI=1S/C11H9ClFNO/c12-8-3-1-2-7-4-9(15-10(7)8)11(13)5-14-6-11/h1-4,14H,5-6H2
InChIKeyLBBJZIDVQOOKAX-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.85
Rot. Bonds1

About 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine

3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine (PubChem CID 114736013) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine.

Molecular Properties

Compound Name3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine
PubChem CID114736013
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine
SMILESFC1(c2cc3cccc(Cl)c3o2)CNC1
InChIInChI=1S/C11H9ClFNO/c12-8-3-1-2-7-4-9(15-10(7)8)11(13)5-14-6-11/h1-4,14H,5-6H2
InChIKeyLBBJZIDVQOOKAX-UHFFFAOYSA-N
XLogP2.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine?
The IUPAC name of 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine (CID 114736013) is 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine.
What is the SMILES notation for 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine?
The canonical SMILES for 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine is FC1(c2cc3cccc(Cl)c3o2)CNC1.
What is the InChIKey of 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine?
The InChIKey is LBBJZIDVQOOKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c12-8-3-1-2-7-4-9(15-10(7)8)11(13)5-14-6-11/h1-4,14H,5-6H2.
What are the key properties of 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine?
3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine has a molecular weight of 225.65 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-benzofuran-2-yl)-3-fluoroazetidine is sourced from PubChem (CID 114736013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).