[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C16H18FNO3 — CID 24817467

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)oc2c(F)cccc12
InChIInChI=1S/C16H18FNO3/c1-9-7-18(8-10(2)20-9)16(19)14-11(3)12-5-4-6-13(17)15(12)21-14/h4-6,9-10H,7-8H2,1-3H3/t9-,10+
InChIKeyAEMBSLWWWANLME-AOOOYVTPSA-N
MW291.32 g/mol
LogP3.13
Rot. Bonds1

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 24817467) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
PubChem CID24817467
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)oc2c(F)cccc12
InChIInChI=1S/C16H18FNO3/c1-9-7-18(8-10(2)20-9)16(19)14-11(3)12-5-4-6-13(17)15(12)21-14/h4-6,9-10H,7-8H2,1-3H3/t9-,10+
InChIKeyAEMBSLWWWANLME-AOOOYVTPSA-N
XLogP3.13
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 24817467) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)oc2c(F)cccc12.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is AEMBSLWWWANLME-AOOOYVTPSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-9-7-18(8-10(2)20-9)16(19)14-11(3)12-5-4-6-13(17)15(12)21-14/h4-6,9-10H,7-8H2,1-3H3/t9-,10+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 291.32 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-(7-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 24817467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).