1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

C10H13BrF3NO2 — CID 103215361

IUPAC1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1occc1Br
InChIInChI=1S/C10H13BrF3NO2/c1-2-15-8(5-16-6-10(12,13)14)9-7(11)3-4-17-9/h3-4,8,15H,2,5-6H2,1H3
InChIKeyDEOSHFYASXZELC-UHFFFAOYSA-N
MW316.12 g/mol
LogP3.27
Rot. Bonds6

About 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215361) has the molecular formula C10H13BrF3NO2 and a molecular weight of 316.12 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215361
Molecular FormulaC10H13BrF3NO2
Molecular Weight316.12 g/mol
Exact Mass315.01
IUPAC Name1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1occc1Br
InChIInChI=1S/C10H13BrF3NO2/c1-2-15-8(5-16-6-10(12,13)14)9-7(11)3-4-17-9/h3-4,8,15H,2,5-6H2,1H3
InChIKeyDEOSHFYASXZELC-UHFFFAOYSA-N
XLogP3.27
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215361) is 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is DEOSHFYASXZELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NO2/c1-2-15-8(5-16-6-10(12,13)14)9-7(11)3-4-17-9/h3-4,8,15H,2,5-6H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 316.12 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).