(2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine

C11H12FNO — CID 130965092

IUPAC(2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
SMILESFc1cc2c(c([C@@H]3CCN3)c1)OCC2
InChIInChI=1S/C11H12FNO/c12-8-5-7-2-4-14-11(7)9(6-8)10-1-3-13-10/h5-6,10,13H,1-4H2/t10-/m0/s1
InChIKeyYNVLITQLPRVHRM-JTQLQIEISA-N
MW193.22 g/mol
LogP1.79
Rot. Bonds1

About (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine

(2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine (PubChem CID 130965092) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine.

Molecular Properties

Compound Name(2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
PubChem CID130965092
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
SMILESFc1cc2c(c([C@@H]3CCN3)c1)OCC2
InChIInChI=1S/C11H12FNO/c12-8-5-7-2-4-14-11(7)9(6-8)10-1-3-13-10/h5-6,10,13H,1-4H2/t10-/m0/s1
InChIKeyYNVLITQLPRVHRM-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

Analyze (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
(2S)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 66519243
5,7-difluoro-2,3-dihydro-1-benzofuran
CID 2736964
(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130639912
(2R)-2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)azetidine
CID 130708733
5-fluoro-2,3-dihydro-1-benzofuran-7-ol
CID 11788407
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-6-yl)pyrrolidine
CID 66519589
(2S)-2-(6-methyl-3,4-dihydro-2H-chromen-8-yl)pyrrolidine
CID 66518877
(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine
CID 66519043
2-amino-6-[(2S)-azetidin-2-yl]-4-fluorophenol
CID 130872116
2-(azetidin-2-yl)-6-bromo-4-fluorophenol
CID 131124098

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine?
The IUPAC name of (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine (CID 130965092) is (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine.
What is the SMILES notation for (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine?
The canonical SMILES for (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine is Fc1cc2c(c([C@@H]3CCN3)c1)OCC2.
What is the InChIKey of (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine?
The InChIKey is YNVLITQLPRVHRM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12FNO/c12-8-5-7-2-4-14-11(7)9(6-8)10-1-3-13-10/h5-6,10,13H,1-4H2/t10-/m0/s1.
What are the key properties of (2S)-2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine?
(2S)-2-(5-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-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine is sourced from PubChem (CID 130965092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).