6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one

C10H6Br2FNO2S — CID 156526370

IUPAC6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one
SMILESO=C1OC(c2sc(Br)c(Br)c2F)=NC12CCC2
InChIInChI=1S/C10H6Br2FNO2S/c11-4-5(13)6(17-7(4)12)8-14-10(2-1-3-10)9(15)16-8/h1-3H2
InChIKeyMQXDXNRJGWNIMP-UHFFFAOYSA-N
MW383.04 g/mol
LogP3.64
Rot. Bonds1

About 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one

6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one (PubChem CID 156526370) has the molecular formula C10H6Br2FNO2S and a molecular weight of 383.04 g/mol. Its IUPAC name is 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one.

Molecular Properties

Compound Name6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one
PubChem CID156526370
Molecular FormulaC10H6Br2FNO2S
Molecular Weight383.04 g/mol
Exact Mass380.85
IUPAC Name6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one
SMILESO=C1OC(c2sc(Br)c(Br)c2F)=NC12CCC2
InChIInChI=1S/C10H6Br2FNO2S/c11-4-5(13)6(17-7(4)12)8-14-10(2-1-3-10)9(15)16-8/h1-3H2
InChIKeyMQXDXNRJGWNIMP-UHFFFAOYSA-N
XLogP3.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.04
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one?
The IUPAC name of 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one (CID 156526370) is 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one.
What is the SMILES notation for 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one?
The canonical SMILES for 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one is O=C1OC(c2sc(Br)c(Br)c2F)=NC12CCC2.
What is the InChIKey of 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one?
The InChIKey is MQXDXNRJGWNIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2FNO2S/c11-4-5(13)6(17-7(4)12)8-14-10(2-1-3-10)9(15)16-8/h1-3H2.
What are the key properties of 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one?
6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one has a molecular weight of 383.04 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dibromo-3-fluorothiophen-2-yl)-7-oxa-5-azaspiro[3.4]oct-5-en-8-one is sourced from PubChem (CID 156526370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).