(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone

C13H12FNO2S — CID 114737342

IUPAC(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
SMILESO=C(c1cc2cccc(F)c2o1)C1CSCCN1
InChIInChI=1S/C13H12FNO2S/c14-9-3-1-2-8-6-11(17-13(8)9)12(16)10-7-18-5-4-15-10/h1-3,6,10,15H,4-5,7H2
InChIKeyMWTOMEJYIJGJIG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.46
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone

(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone (PubChem CID 114737342) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
PubChem CID114737342
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone
SMILESO=C(c1cc2cccc(F)c2o1)C1CSCCN1
InChIInChI=1S/C13H12FNO2S/c14-9-3-1-2-8-6-11(17-13(8)9)12(16)10-7-18-5-4-15-10/h1-3,6,10,15H,4-5,7H2
InChIKeyMWTOMEJYIJGJIG-UHFFFAOYSA-N
XLogP2.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-thiomorpholin-3-ylmethanone
CID 116609632
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565
1-(7-fluoro-1-benzofuran-2-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114737366
(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone
CID 114725668
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 114736767
2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609666
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
(7-fluoro-1-benzofuran-2-yl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 114725740
2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114736267

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone (CID 114737342) is (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone is O=C(c1cc2cccc(F)c2o1)C1CSCCN1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone?
The InChIKey is MWTOMEJYIJGJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-9-3-1-2-8-6-11(17-13(8)9)12(16)10-7-18-5-4-15-10/h1-3,6,10,15H,4-5,7H2.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone?
(7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone has a molecular weight of 265.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-thiomorpholin-3-ylmethanone is sourced from PubChem (CID 114737342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).