(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine

C11H12ClNO — CID 130708733

IUPAC(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine
SMILESClc1cc([C@H]2CCN2)cc2c1OCC2
InChIInChI=1S/C11H12ClNO/c12-9-6-8(10-1-3-13-10)5-7-2-4-14-11(7)9/h5-6,10,13H,1-4H2/t10-/m1/s1
InChIKeyXNPWGWFQFBIYEZ-SNVBAGLBSA-N
MW209.68 g/mol
LogP2.31
Rot. Bonds1

About (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine

(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine (PubChem CID 130708733) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine.

Molecular Properties

Compound Name(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine
PubChem CID130708733
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine
SMILESClc1cc([C@H]2CCN2)cc2c1OCC2
InChIInChI=1S/C11H12ClNO/c12-9-6-8(10-1-3-13-10)5-7-2-4-14-11(7)9/h5-6,10,13H,1-4H2/t10-/m1/s1
InChIKeyXNPWGWFQFBIYEZ-SNVBAGLBSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
5-[(2S)-pyrrolidin-2-yl]-2,3-dihydro-1-benzofuran-7-carbonitrile
CID 66518742
(2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130965092
(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 66519243
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519309
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 83885677
(2S)-2-(7-chloro-2,3-dihydro-1H-inden-5-yl)pyrrolidine
CID 66519431
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83880247
(1S)-1-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 130658252
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride
CID 171197250

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine?
The IUPAC name of (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine (CID 130708733) is (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine.
What is the SMILES notation for (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine?
The canonical SMILES for (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine is Clc1cc([C@H]2CCN2)cc2c1OCC2.
What is the InChIKey of (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine?
The InChIKey is XNPWGWFQFBIYEZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-9-6-8(10-1-3-13-10)5-7-2-4-14-11(7)9/h5-6,10,13H,1-4H2/t10-/m1/s1.
What are the key properties of (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine?
(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine has a molecular weight of 209.68 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine is sourced from PubChem (CID 130708733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).