3-(4-bromo-5-chlorothiophen-2-yl)morpholine

C8H9BrClNOS — CID 130880379

IUPAC3-(4-bromo-5-chlorothiophen-2-yl)morpholine
SMILESClc1sc(C2COCCN2)cc1Br
InChIInChI=1S/C8H9BrClNOS/c9-5-3-7(13-8(5)10)6-4-12-2-1-11-6/h3,6,11H,1-2,4H2
InChIKeyFVCCWHLRNNULJT-UHFFFAOYSA-N
MW282.59 g/mol
LogP2.82
Rot. Bonds1

About 3-(4-bromo-5-chlorothiophen-2-yl)morpholine

3-(4-bromo-5-chlorothiophen-2-yl)morpholine (PubChem CID 130880379) has the molecular formula C8H9BrClNOS and a molecular weight of 282.59 g/mol. Its IUPAC name is 3-(4-bromo-5-chlorothiophen-2-yl)morpholine.

Molecular Properties

Compound Name3-(4-bromo-5-chlorothiophen-2-yl)morpholine
PubChem CID130880379
Molecular FormulaC8H9BrClNOS
Molecular Weight282.59 g/mol
Exact Mass280.93
IUPAC Name3-(4-bromo-5-chlorothiophen-2-yl)morpholine
SMILESClc1sc(C2COCCN2)cc1Br
InChIInChI=1S/C8H9BrClNOS/c9-5-3-7(13-8(5)10)6-4-12-2-1-11-6/h3,6,11H,1-2,4H2
InChIKeyFVCCWHLRNNULJT-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.59
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-chlorothiophen-2-yl)morpholine?
The IUPAC name of 3-(4-bromo-5-chlorothiophen-2-yl)morpholine (CID 130880379) is 3-(4-bromo-5-chlorothiophen-2-yl)morpholine.
What is the SMILES notation for 3-(4-bromo-5-chlorothiophen-2-yl)morpholine?
The canonical SMILES for 3-(4-bromo-5-chlorothiophen-2-yl)morpholine is Clc1sc(C2COCCN2)cc1Br.
What is the InChIKey of 3-(4-bromo-5-chlorothiophen-2-yl)morpholine?
The InChIKey is FVCCWHLRNNULJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNOS/c9-5-3-7(13-8(5)10)6-4-12-2-1-11-6/h3,6,11H,1-2,4H2.
What are the key properties of 3-(4-bromo-5-chlorothiophen-2-yl)morpholine?
3-(4-bromo-5-chlorothiophen-2-yl)morpholine has a molecular weight of 282.59 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-chlorothiophen-2-yl)morpholine is sourced from PubChem (CID 130880379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).