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

C14H13BrF3NO2 — CID 104652406

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline
SMILESCC(Nc1ccccc1OCC(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C14H13BrF3NO2/c1-9(11-6-7-13(15)21-11)19-10-4-2-3-5-12(10)20-8-14(16,17)18/h2-7,9,19H,8H2,1H3
InChIKeyAKISMJJYOOUQAA-UHFFFAOYSA-N
MW364.16 g/mol
LogP5.16
Rot. Bonds5

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

N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 104652406) has the molecular formula C14H13BrF3NO2 and a molecular weight of 364.16 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID104652406
Molecular FormulaC14H13BrF3NO2
Molecular Weight364.16 g/mol
Exact Mass363.01
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline
SMILESCC(Nc1ccccc1OCC(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C14H13BrF3NO2/c1-9(11-6-7-13(15)21-11)19-10-4-2-3-5-12(10)20-8-14(16,17)18/h2-7,9,19H,8H2,1H3
InChIKeyAKISMJJYOOUQAA-UHFFFAOYSA-N
XLogP5.16
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.16
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-2-propoxyaniline
CID 104652355
N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689182
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
N-(5-methylhexan-2-yl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689164
methyl 2-[2-(2,2,2-trifluoroethoxy)anilino]propanoate
CID 66174109
N-[1-(5-bromofuran-2-yl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 104652024
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
CID 102903779
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689188
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
2-methoxy-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 112685720
N-[1-(5-bromofuran-2-yl)ethyl]-2-pyrrolidin-1-ylaniline
CID 104652371
2-[1-(5-bromofuran-2-yl)ethylamino]-6-methylbenzonitrile
CID 107803391

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline (CID 104652406) is N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline is CC(Nc1ccccc1OCC(F)(F)F)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is AKISMJJYOOUQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NO2/c1-9(11-6-7-13(15)21-11)19-10-4-2-3-5-12(10)20-8-14(16,17)18/h2-7,9,19H,8H2,1H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline?
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 364.16 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 104652406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).