2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline

C16H13Br3FN — CID 63425780

IUPAC2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
SMILESFc1ccccc1C1CC(Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C16H13Br3FN/c17-10-7-13(18)16(14(19)8-10)21-11-5-9(6-11)12-3-1-2-4-15(12)20/h1-4,7-9,11,21H,5-6H2
InChIKeyUCTJLQFOPFCYLP-UHFFFAOYSA-N
MW478.00 g/mol
LogP6.47
Rot. Bonds3

About 2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline

2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline (PubChem CID 63425780) has the molecular formula C16H13Br3FN and a molecular weight of 478.00 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
PubChem CID63425780
Molecular FormulaC16H13Br3FN
Molecular Weight478.00 g/mol
Exact Mass474.86
IUPAC Name2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
SMILESFc1ccccc1C1CC(Nc2c(Br)cc(Br)cc2Br)C1
InChIInChI=1S/C16H13Br3FN/c17-10-7-13(18)16(14(19)8-10)21-11-5-9(6-11)12-3-1-2-4-15(12)20/h1-4,7-9,11,21H,5-6H2
InChIKeyUCTJLQFOPFCYLP-UHFFFAOYSA-N
XLogP6.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.00
LogP ≤ 56.47
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-[3-(2-fluorophenyl)cyclobutyl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline (CID 63425780) is 2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline is Fc1ccccc1C1CC(Nc2c(Br)cc(Br)cc2Br)C1.
What is the InChIKey of 2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline?
The InChIKey is UCTJLQFOPFCYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br3FN/c17-10-7-13(18)16(14(19)8-10)21-11-5-9(6-11)12-3-1-2-4-15(12)20/h1-4,7-9,11,21H,5-6H2.
What are the key properties of 2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline?
2,4,6-tribromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline has a molecular weight of 478.00 g/mol, XLogP of 6.47, 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-[3-(2-fluorophenyl)cyclobutyl]aniline is sourced from PubChem (CID 63425780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).