(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine

C11H12FNO — CID 130639912

IUPAC(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
SMILESFc1ccc([C@@H]2CCN2)c2c1CCO2
InChIInChI=1S/C11H12FNO/c12-9-2-1-8(10-3-5-13-10)11-7(9)4-6-14-11/h1-2,10,13H,3-6H2/t10-/m0/s1
InChIKeyVTOQSTWCNTWREF-JTQLQIEISA-N
MW193.22 g/mol
LogP1.79
Rot. Bonds1

About (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine

(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine (PubChem CID 130639912) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
PubChem CID130639912
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
SMILESFc1ccc([C@@H]2CCN2)c2c1CCO2
InChIInChI=1S/C11H12FNO/c12-9-2-1-8(10-3-5-13-10)11-7(9)4-6-14-11/h1-2,10,13H,3-6H2/t10-/m0/s1
InChIKeyVTOQSTWCNTWREF-JTQLQIEISA-N
XLogP1.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
(2S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)azetidine
CID 130718409
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)pyrrolidine
CID 117319500
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519325
2-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)piperidine
CID 117381261
(2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130965092
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
2-(4-chloro-2-fluorophenyl)azetidine
CID 55271192
2-(5-fluoro-3,4-dihydro-1H-isochromen-1-yl)azetidine
CID 145138550
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine
CID 131172256
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine?
The IUPAC name of (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine (CID 130639912) is (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine.
What is the SMILES notation for (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine?
The canonical SMILES for (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine is Fc1ccc([C@@H]2CCN2)c2c1CCO2.
What is the InChIKey of (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine?
The InChIKey is VTOQSTWCNTWREF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12FNO/c12-9-2-1-8(10-3-5-13-10)11-7(9)4-6-14-11/h1-2,10,13H,3-6H2/t10-/m0/s1.
What are the key properties of (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine?
(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine has a molecular weight of 193.22 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine is sourced from PubChem (CID 130639912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).