2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline

C13H8Br3F2N — CID 28991921

IUPAC2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2c(Br)cc(Br)cc2Br)c(F)c1
InChIInChI=1S/C13H8Br3F2N/c14-8-3-10(15)13(11(16)4-8)19-6-7-1-2-9(17)5-12(7)18/h1-5,19H,6H2
InChIKeyVDSOOLJQHFHSQT-UHFFFAOYSA-N
MW455.92 g/mol
LogP5.86
Rot. Bonds3

About 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline

2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline (PubChem CID 28991921) has the molecular formula C13H8Br3F2N and a molecular weight of 455.92 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
PubChem CID28991921
Molecular FormulaC13H8Br3F2N
Molecular Weight455.92 g/mol
Exact Mass452.82
IUPAC Name2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline
SMILESFc1ccc(CNc2c(Br)cc(Br)cc2Br)c(F)c1
InChIInChI=1S/C13H8Br3F2N/c14-8-3-10(15)13(11(16)4-8)19-6-7-1-2-9(17)5-12(7)18/h1-5,19H,6H2
InChIKeyVDSOOLJQHFHSQT-UHFFFAOYSA-N
XLogP5.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.92
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
2,4,6-tribromo-N-[(5-chloro-2-fluorophenyl)methyl]aniline
CID 114841513
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469947
3-bromo-N-[(2,4-difluorophenyl)methyl]-5-methoxyaniline
CID 82857286
2-bromo-4,6-difluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876260
4-bromo-1-N-[(2,4-difluorophenyl)methyl]benzene-1,2-diamine
CID 62227743
N-[(4-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 43093210
2-bromo-6-[(2,4-difluorophenyl)methylamino]benzonitrile
CID 114880935

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline (CID 28991921) is 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline is Fc1ccc(CNc2c(Br)cc(Br)cc2Br)c(F)c1.
What is the InChIKey of 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline?
The InChIKey is VDSOOLJQHFHSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3F2N/c14-8-3-10(15)13(11(16)4-8)19-6-7-1-2-9(17)5-12(7)18/h1-5,19H,6H2.
What are the key properties of 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline?
2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline has a molecular weight of 455.92 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[(2,4-difluorophenyl)methyl]aniline is sourced from PubChem (CID 28991921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).