2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine

C8H10BrF2NOS — CID 82004519

IUPAC2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine
SMILESNCC(OCC(F)F)c1cc(Br)cs1
InChIInChI=1S/C8H10BrF2NOS/c9-5-1-7(14-4-5)6(2-12)13-3-8(10)11/h1,4,6,8H,2-3,12H2
InChIKeyZPSBOHJRIDYKLA-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine

2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine (PubChem CID 82004519) has the molecular formula C8H10BrF2NOS and a molecular weight of 286.14 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine
PubChem CID82004519
Molecular FormulaC8H10BrF2NOS
Molecular Weight286.14 g/mol
Exact Mass284.96
IUPAC Name2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine
SMILESNCC(OCC(F)F)c1cc(Br)cs1
InChIInChI=1S/C8H10BrF2NOS/c9-5-1-7(14-4-5)6(2-12)13-3-8(10)11/h1,4,6,8H,2-3,12H2
InChIKeyZPSBOHJRIDYKLA-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine (CID 82004519) is 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine is NCC(OCC(F)F)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine?
The InChIKey is ZPSBOHJRIDYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NOS/c9-5-1-7(14-4-5)6(2-12)13-3-8(10)11/h1,4,6,8H,2-3,12H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine?
2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine has a molecular weight of 286.14 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(2,2-difluoroethoxy)ethanamine is sourced from PubChem (CID 82004519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).