2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine

C12H10BrF2NOS — CID 63269156

IUPAC2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
SMILESNCC(Oc1cc(F)ccc1F)c1cc(Br)cs1
InChIInChI=1S/C12H10BrF2NOS/c13-7-3-12(18-6-7)11(5-16)17-10-4-8(14)1-2-9(10)15/h1-4,6,11H,5,16H2
InChIKeyDRQXRJCMZUWRCH-UHFFFAOYSA-N
MW334.19 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine

2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine (PubChem CID 63269156) has the molecular formula C12H10BrF2NOS and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
PubChem CID63269156
Molecular FormulaC12H10BrF2NOS
Molecular Weight334.19 g/mol
Exact Mass332.96
IUPAC Name2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine
SMILESNCC(Oc1cc(F)ccc1F)c1cc(Br)cs1
InChIInChI=1S/C12H10BrF2NOS/c13-7-3-12(18-6-7)11(5-16)17-10-4-8(14)1-2-9(10)15/h1-4,6,11H,5,16H2
InChIKeyDRQXRJCMZUWRCH-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 53.87
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-(2,5-difluorophenoxy)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine (CID 63269156) is 2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine is NCC(Oc1cc(F)ccc1F)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine?
The InChIKey is DRQXRJCMZUWRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NOS/c13-7-3-12(18-6-7)11(5-16)17-10-4-8(14)1-2-9(10)15/h1-4,6,11H,5,16H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine?
2-(4-bromothiophen-2-yl)-2-(2,5-difluorophenoxy)ethanamine has a molecular weight of 334.19 g/mol, XLogP of 3.87, 4 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-(2,5-difluorophenoxy)ethanamine is sourced from PubChem (CID 63269156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).