BYJXNWCICHYQFM-UHFFFAOYSA-N

Name: BYJXNWCICHYQFM-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₁F₃OS — CID 132576564

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,2,2-trifluoro-1-[3-(3-methylphenyl)-1-benzothiophen-2-yl]ethanone

SMILESCc1cccc(-c2c(C(=O)C(F)(F)F)sc3ccccc23)c1

InChIInChI=1S/C17H11F3OS/c1-10-5-4-6-11(9-10)14-12-7-2-3-8-13(12)22-15(14)16(21)17(18,19)20/h2-9H,1H3

InChIKeyBYJXNWCICHYQFM-UHFFFAOYSA-N

MW320.34 g/mol

LogP5.62

Rot. Bonds2

About BYJXNWCICHYQFM-UHFFFAOYSA-N

BYJXNWCICHYQFM-UHFFFAOYSA-N (PubChem CID 132576564) has the molecular formula C₁₇H₁₁F₃OS and a molecular weight of 320.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(3-methylphenyl)-1-benzothiophen-2-yl]ethanone.

Molecular Properties

Compound Name	BYJXNWCICHYQFM-UHFFFAOYSA-N
PubChem CID	132576564
Molecular Formula	C₁₇H₁₁F₃OS
Molecular Weight	320.34 g/mol
Exact Mass	320.05
IUPAC Name	2,2,2-trifluoro-1-[3-(3-methylphenyl)-1-benzothiophen-2-yl]ethanone
SMILES	Cc1cccc(-c2c(C(=O)C(F)(F)F)sc3ccccc23)c1
InChI	InChI=1S/C17H11F3OS/c1-10-5-4-6-11(9-10)14-12-7-2-3-8-13(12)22-15(14)16(21)17(18,19)20/h2-9H,1H3
InChIKey	BYJXNWCICHYQFM-UHFFFAOYSA-N
XLogP	5.62
TPSA	17.07 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	320.34
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of BYJXNWCICHYQFM-UHFFFAOYSA-N?

The IUPAC name of BYJXNWCICHYQFM-UHFFFAOYSA-N (CID 132576564) is 2,2,2-trifluoro-1-[3-(3-methylphenyl)-1-benzothiophen-2-yl]ethanone.

What is the SMILES notation for BYJXNWCICHYQFM-UHFFFAOYSA-N?

The canonical SMILES for BYJXNWCICHYQFM-UHFFFAOYSA-N is Cc1cccc(-c2c(C(=O)C(F)(F)F)sc3ccccc23)c1.

What is the InChIKey of BYJXNWCICHYQFM-UHFFFAOYSA-N?

The InChIKey is BYJXNWCICHYQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3OS/c1-10-5-4-6-11(9-10)14-12-7-2-3-8-13(12)22-15(14)16(21)17(18,19)20/h2-9H,1H3.

What are the key properties of BYJXNWCICHYQFM-UHFFFAOYSA-N?

BYJXNWCICHYQFM-UHFFFAOYSA-N has a molecular weight of 320.34 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for BYJXNWCICHYQFM-UHFFFAOYSA-N is sourced from PubChem (CID 132576564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 132576564 — identifiers, structure, computed properties (public domain)

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