3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one

C14H11FOS — CID 160943711

IUPAC3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESO=C1CCCc2scc(-c3ccc(F)cc3)c21
InChIInChI=1S/C14H11FOS/c15-10-6-4-9(5-7-10)11-8-17-13-3-1-2-12(16)14(11)13/h4-8H,1-3H2
InChIKeySUVKTGAHSHXBRM-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.07
Rot. Bonds1

About 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one

3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one (PubChem CID 160943711) has the molecular formula C14H11FOS and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one
PubChem CID160943711
Molecular FormulaC14H11FOS
Molecular Weight246.31 g/mol
Exact Mass246.05
IUPAC Name3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESO=C1CCCc2scc(-c3ccc(F)cc3)c21
InChIInChI=1S/C14H11FOS/c15-10-6-4-9(5-7-10)11-8-17-13-3-1-2-12(16)14(11)13/h4-8H,1-3H2
InChIKeySUVKTGAHSHXBRM-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one?
The IUPAC name of 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one (CID 160943711) is 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one is O=C1CCCc2scc(-c3ccc(F)cc3)c21.
What is the InChIKey of 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one?
The InChIKey is SUVKTGAHSHXBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FOS/c15-10-6-4-9(5-7-10)11-8-17-13-3-1-2-12(16)14(11)13/h4-8H,1-3H2.
What are the key properties of 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one?
3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one has a molecular weight of 246.31 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6,7-dihydro-5H-1-benzothiophen-4-one is sourced from PubChem (CID 160943711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).