2,4,6-tribromo-N-(2,2-difluoroethyl)aniline

C8H6Br3F2N — CID 63489032

IUPAC2,4,6-tribromo-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C8H6Br3F2N/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2,7,14H,3H2
InChIKeyOKHBQGKIAIOKOD-UHFFFAOYSA-N
MW393.85 g/mol
LogP4.65
Rot. Bonds3

About 2,4,6-tribromo-N-(2,2-difluoroethyl)aniline

2,4,6-tribromo-N-(2,2-difluoroethyl)aniline (PubChem CID 63489032) has the molecular formula C8H6Br3F2N and a molecular weight of 393.85 g/mol. Its IUPAC name is 2,4,6-tribromo-N-(2,2-difluoroethyl)aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-(2,2-difluoroethyl)aniline
PubChem CID63489032
Molecular FormulaC8H6Br3F2N
Molecular Weight393.85 g/mol
Exact Mass390.80
IUPAC Name2,4,6-tribromo-N-(2,2-difluoroethyl)aniline
SMILESFC(F)CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C8H6Br3F2N/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2,7,14H,3H2
InChIKeyOKHBQGKIAIOKOD-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-(2,2-difluoroethyl)aniline?
The IUPAC name of 2,4,6-tribromo-N-(2,2-difluoroethyl)aniline (CID 63489032) is 2,4,6-tribromo-N-(2,2-difluoroethyl)aniline.
What is the SMILES notation for 2,4,6-tribromo-N-(2,2-difluoroethyl)aniline?
The canonical SMILES for 2,4,6-tribromo-N-(2,2-difluoroethyl)aniline is FC(F)CNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-(2,2-difluoroethyl)aniline?
The InChIKey is OKHBQGKIAIOKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br3F2N/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2,7,14H,3H2.
What are the key properties of 2,4,6-tribromo-N-(2,2-difluoroethyl)aniline?
2,4,6-tribromo-N-(2,2-difluoroethyl)aniline has a molecular weight of 393.85 g/mol, XLogP of 4.65, 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-(2,2-difluoroethyl)aniline is sourced from PubChem (CID 63489032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).