1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C10H13BrF3NO2 — CID 104653014

IUPAC1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C10H13BrF3NO2/c1-7(8-2-3-9(11)17-8)15-4-5-16-6-10(12,13)14/h2-3,7,15H,4-6H2,1H3
InChIKeyXPZNNIQOBFVUOY-UHFFFAOYSA-N
MW316.12 g/mol
LogP3.27
Rot. Bonds6

About 1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 104653014) has the molecular formula C10H13BrF3NO2 and a molecular weight of 316.12 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID104653014
Molecular FormulaC10H13BrF3NO2
Molecular Weight316.12 g/mol
Exact Mass315.01
IUPAC Name1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCC(NCCOCC(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C10H13BrF3NO2/c1-7(8-2-3-9(11)17-8)15-4-5-16-6-10(12,13)14/h2-3,7,15H,4-6H2,1H3
InChIKeyXPZNNIQOBFVUOY-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(Furan-2-yl)ethyl](methyl)amine
CID 3161863
((Furan-2-yl)methyl)(propan-2-yl)amine
CID 12572948
5-bromo-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide
CID 6468078
5-bromo-N-heptan-4-ylfuran-2-carboxamide
CID 57527824
((Furan-2-yl)methyl)(2,2,2-trifluoroethyl)amine
CID 4961897
3-(Furan-2-yl)morpholine
CID 24271584
[(Furan-2-yl)methyl](2-methoxyethyl)amine
CID 4722632
(E)-1,1,1-trifluoro-4-(furan-2-ylmethylamino)pent-3-en-2-one
CID 6389115
Icosa-5,8,11,14-tetraenoic acid (1-furan-2-yl-ethyl)-amide
CID 11101378
2-[(5-Methyl-furan-2-ylmethyl)-amino]-ethanol
CID 3154446
(1-Furan-2-yl-propyl)-methyl-amine
CID 6485517
1,1,1-Trifluoro-4-{[(furan-2-yl)methyl]amino}pent-3-en-2-one
CID 4854692

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 104653014) is 1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is CC(NCCOCC(F)(F)F)c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is XPZNNIQOBFVUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NO2/c1-7(8-2-3-9(11)17-8)15-4-5-16-6-10(12,13)14/h2-3,7,15H,4-6H2,1H3.
What are the key properties of 1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]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-(5-bromofuran-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 104653014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).