4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine

C19H18FNOS — CID 129160764

IUPAC4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine
SMILESFc1ccc(-c2cccc3sc(CN4CCOCC4)cc23)cc1
InChIInChI=1S/C19H18FNOS/c20-15-6-4-14(5-7-15)17-2-1-3-19-18(17)12-16(23-19)13-21-8-10-22-11-9-21/h1-7,12H,8-11,13H2
InChIKeyLAYPGTVZONCXRH-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.54
Rot. Bonds3

About 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine

4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine (PubChem CID 129160764) has the molecular formula C19H18FNOS and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine
PubChem CID129160764
Molecular FormulaC19H18FNOS
Molecular Weight327.42 g/mol
Exact Mass327.11
IUPAC Name4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine
SMILESFc1ccc(-c2cccc3sc(CN4CCOCC4)cc23)cc1
InChIInChI=1S/C19H18FNOS/c20-15-6-4-14(5-7-15)17-2-1-3-19-18(17)12-16(23-19)13-21-8-10-22-11-9-21/h1-7,12H,8-11,13H2
InChIKeyLAYPGTVZONCXRH-UHFFFAOYSA-N
XLogP4.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine (CID 129160764) is 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine is Fc1ccc(-c2cccc3sc(CN4CCOCC4)cc23)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine?
The InChIKey is LAYPGTVZONCXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNOS/c20-15-6-4-14(5-7-15)17-2-1-3-19-18(17)12-16(23-19)13-21-8-10-22-11-9-21/h1-7,12H,8-11,13H2.
What are the key properties of 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine?
4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine has a molecular weight of 327.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-1-benzothiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 129160764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).