1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone

C15H7F3OS — CID 81153538

IUPAC1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1cccc2ccsc12
InChIInChI=1S/C15H7F3OS/c16-11-6-9(7-12(17)13(11)18)14(19)10-3-1-2-8-4-5-20-15(8)10/h1-7H
InChIKeyLRTZBLLSHPPBAV-UHFFFAOYSA-N
MW292.28 g/mol
LogP4.55
Rot. Bonds2

About 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone

1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone (PubChem CID 81153538) has the molecular formula C15H7F3OS and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
PubChem CID81153538
Molecular FormulaC15H7F3OS
Molecular Weight292.28 g/mol
Exact Mass292.02
IUPAC Name1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)c1cccc2ccsc12
InChIInChI=1S/C15H7F3OS/c16-11-6-9(7-12(17)13(11)18)14(19)10-3-1-2-8-4-5-20-15(8)10/h1-7H
InChIKeyLRTZBLLSHPPBAV-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone (CID 81153538) is 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone?
The InChIKey is LRTZBLLSHPPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3OS/c16-11-6-9(7-12(17)13(11)18)14(19)10-3-1-2-8-4-5-20-15(8)10/h1-7H.
What are the key properties of 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone?
1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone has a molecular weight of 292.28 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 81153538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).