FBBOQBWKDLBPEF-UHFFFAOYSA-N

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

C₁₅H₈F₆O₄S — CID 118164921

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

IUPAC4-(difluoromethyl)-5-(3,5-difluorophenoxy)-2,2-difluoro-1,1-dioxo-3H-1-benzothiophen-3-ol

SMILESO=S1(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c2C(O)C1(F)F

InChIInChI=1S/C15H8F6O4S/c16-6-3-7(17)5-8(4-6)25-9-1-2-10-12(11(9)14(18)19)13(22)15(20,21)26(10,23)24/h1-5,13-14,22H

InChIKeyFBBOQBWKDLBPEF-UHFFFAOYSA-N

MW398.28 g/mol

LogP4.11

Rot. Bonds3

About FBBOQBWKDLBPEF-UHFFFAOYSA-N

FBBOQBWKDLBPEF-UHFFFAOYSA-N (PubChem CID 118164921) has the molecular formula C₁₅H₈F₆O₄S and a molecular weight of 398.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-2,2-difluoro-1,1-dioxo-3H-1-benzothiophen-3-ol.

Molecular Properties

Compound Name	FBBOQBWKDLBPEF-UHFFFAOYSA-N
PubChem CID	118164921
Molecular Formula	C₁₅H₈F₆O₄S
Molecular Weight	398.28 g/mol
Exact Mass	398.00
IUPAC Name	4-(difluoromethyl)-5-(3,5-difluorophenoxy)-2,2-difluoro-1,1-dioxo-3H-1-benzothiophen-3-ol
SMILES	O=S1(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c2C(O)C1(F)F
InChI	InChI=1S/C15H8F6O4S/c16-6-3-7(17)5-8(4-6)25-9-1-2-10-12(11(9)14(18)19)13(22)15(20,21)26(10,23)24/h1-5,13-14,22H
InChIKey	FBBOQBWKDLBPEF-UHFFFAOYSA-N
XLogP	4.11
TPSA	63.60 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.28
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of FBBOQBWKDLBPEF-UHFFFAOYSA-N (CID 118164921) is 4-(difluoromethyl)-5-(3,5-difluorophenoxy)-2,2-difluoro-1,1-dioxo-3H-1-benzothiophen-3-ol.

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

The canonical SMILES for FBBOQBWKDLBPEF-UHFFFAOYSA-N is O=S1(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c2C(O)C1(F)F.

What is the InChIKey of FBBOQBWKDLBPEF-UHFFFAOYSA-N?

The InChIKey is FBBOQBWKDLBPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6O4S/c16-6-3-7(17)5-8(4-6)25-9-1-2-10-12(11(9)14(18)19)13(22)15(20,21)26(10,23)24/h1-5,13-14,22H.

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

FBBOQBWKDLBPEF-UHFFFAOYSA-N has a molecular weight of 398.28 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for FBBOQBWKDLBPEF-UHFFFAOYSA-N is sourced from PubChem (CID 118164921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118164921 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.