4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine

C18H15ClFNOS — CID 138540903

IUPAC4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine
SMILESFc1ccc(-c2ccc(Cl)c3sc(N4CCOCC4)cc23)cc1
InChIInChI=1S/C18H15ClFNOS/c19-16-6-5-14(12-1-3-13(20)4-2-12)15-11-17(23-18(15)16)21-7-9-22-10-8-21/h1-6,11H,7-10H2
InChIKeyGXFZBVJHRUWYFW-UHFFFAOYSA-N
MW347.84 g/mol
LogP5.20
Rot. Bonds2

About 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine

4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine (PubChem CID 138540903) has the molecular formula C18H15ClFNOS and a molecular weight of 347.84 g/mol. Its IUPAC name is 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine
PubChem CID138540903
Molecular FormulaC18H15ClFNOS
Molecular Weight347.84 g/mol
Exact Mass347.05
IUPAC Name4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine
SMILESFc1ccc(-c2ccc(Cl)c3sc(N4CCOCC4)cc23)cc1
InChIInChI=1S/C18H15ClFNOS/c19-16-6-5-14(12-1-3-13(20)4-2-12)15-11-17(23-18(15)16)21-7-9-22-10-8-21/h1-6,11H,7-10H2
InChIKeyGXFZBVJHRUWYFW-UHFFFAOYSA-N
XLogP5.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.84
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-Chlorophenyl)-1-benzothiophen-3-yl]morpholine
CID 16640365
4-(5-Chloro-3-methyl-1-benzothien-2-yl)morpholine
CID 22730439
4-(4-Cyclohexyl-1-benzothiophen-2-yl)morpholine
CID 67152389
4-(5-Chloro-1-benzothiophen-2-yl)morpholine
CID 12416113

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine?
The IUPAC name of 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine (CID 138540903) is 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine.
What is the SMILES notation for 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine?
The canonical SMILES for 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine is Fc1ccc(-c2ccc(Cl)c3sc(N4CCOCC4)cc23)cc1.
What is the InChIKey of 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine?
The InChIKey is GXFZBVJHRUWYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNOS/c19-16-6-5-14(12-1-3-13(20)4-2-12)15-11-17(23-18(15)16)21-7-9-22-10-8-21/h1-6,11H,7-10H2.
What are the key properties of 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine?
4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine has a molecular weight of 347.84 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-4-(4-fluorophenyl)-1-benzothiophen-2-yl]morpholine is sourced from PubChem (CID 138540903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).