[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone

C19H16FNO2S — CID 129160740

IUPAC[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCOCC1
InChIInChI=1S/C19H16FNO2S/c20-14-6-4-13(5-7-14)15-2-1-3-17-16(15)12-18(24-17)19(22)21-8-10-23-11-9-21/h1-7,12H,8-11H2
InChIKeyJJHSPFJYDJOPFA-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.18
Rot. Bonds2

About [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone

[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 129160740) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
PubChem CID129160740
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCOCC1
InChIInChI=1S/C19H16FNO2S/c20-14-6-4-13(5-7-14)15-2-1-3-17-16(15)12-18(24-17)19(22)21-8-10-23-11-9-21/h1-7,12H,8-11H2
InChIKeyJJHSPFJYDJOPFA-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone (CID 129160740) is [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone is O=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCOCC1.
What is the InChIKey of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The InChIKey is JJHSPFJYDJOPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c20-14-6-4-13(5-7-14)15-2-1-3-17-16(15)12-18(24-17)19(22)21-8-10-23-11-9-21/h1-7,12H,8-11H2.
What are the key properties of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 341.41 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 129160740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).