5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline

C14H10BrF4N — CID 102852745

IUPAC5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline
SMILESCC(Nc1cc(Br)c(F)cc1F)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF4N/c1-7(14-9(16)3-2-4-10(14)17)20-13-5-8(15)11(18)6-12(13)19/h2-7,20H,1H3
InChIKeyFXEOCQPKPDHXIU-UHFFFAOYSA-N
MW348.14 g/mol
LogP5.18
Rot. Bonds3

About 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline

5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline (PubChem CID 102852745) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline
PubChem CID102852745
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline
SMILESCC(Nc1cc(Br)c(F)cc1F)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF4N/c1-7(14-9(16)3-2-4-10(14)17)20-13-5-8(15)11(18)6-12(13)19/h2-7,20H,1H3
InChIKeyFXEOCQPKPDHXIU-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.14
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
CID 107632832
5-bromo-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-2,4-difluoroaniline
CID 102852987
N-[1-(2,6-difluorophenyl)ethyl]-2,5-dimethylaniline
CID 43110826
2-[1-(5-bromo-2,4-difluoroanilino)ethyl]-4-methylphenol
CID 102852847
4-bromo-2,5-difluoro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 107609316
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
2-chloro-N-[1-(2,6-difluorophenyl)ethyl]aniline
CID 43111468
2-bromo-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107633140
5-bromo-2,4-difluoro-N-[1-(1,3-thiazol-4-yl)ethyl]aniline
CID 102852908
4-bromo-2,5-difluoro-N-(1-pyridin-2-ylethyl)aniline
CID 107609858
N-[1-(2,6-difluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 43717020
4-bromo-5-fluoro-2-N-[(1R)-1-phenylethyl]benzene-1,2-diamine
CID 89287608

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline?
The IUPAC name of 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline (CID 102852745) is 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline.
What is the SMILES notation for 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline?
The canonical SMILES for 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline is CC(Nc1cc(Br)c(F)cc1F)c1c(F)cccc1F.
What is the InChIKey of 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline?
The InChIKey is FXEOCQPKPDHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c1-7(14-9(16)3-2-4-10(14)17)20-13-5-8(15)11(18)6-12(13)19/h2-7,20H,1H3.
What are the key properties of 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline?
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline has a molecular weight of 348.14 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2,4-difluoroaniline is sourced from PubChem (CID 102852745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).