2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline

C11H7Br2F2NO — CID 43347655

IUPAC2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2ccc(Br)o2)c(Br)c1
InChIInChI=1S/C11H7Br2F2NO/c12-8-3-6(14)4-9(15)11(8)16-5-7-1-2-10(13)17-7/h1-4,16H,5H2
InChIKeyDMRCJHBTKHXJFL-UHFFFAOYSA-N
MW366.99 g/mol
LogP4.69
Rot. Bonds3

About 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline

2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline (PubChem CID 43347655) has the molecular formula C11H7Br2F2NO and a molecular weight of 366.99 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline
PubChem CID43347655
Molecular FormulaC11H7Br2F2NO
Molecular Weight366.99 g/mol
Exact Mass364.89
IUPAC Name2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline
SMILESFc1cc(F)c(NCc2ccc(Br)o2)c(Br)c1
InChIInChI=1S/C11H7Br2F2NO/c12-8-3-6(14)4-9(15)11(8)16-5-7-1-2-10(13)17-7/h1-4,16H,5H2
InChIKeyDMRCJHBTKHXJFL-UHFFFAOYSA-N
XLogP4.69
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.99
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline
CID 62345433
4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline
CID 107609488
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82819196
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
CID 43168289
5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline
CID 43555430
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
CID 43716493
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
N-[(5-bromofuran-2-yl)methyl]-1-(2,4-difluorophenyl)methanamine
CID 62222221
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 79891767

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline (CID 43347655) is 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline is Fc1cc(F)c(NCc2ccc(Br)o2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline?
The InChIKey is DMRCJHBTKHXJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2F2NO/c12-8-3-6(14)4-9(15)11(8)16-5-7-1-2-10(13)17-7/h1-4,16H,5H2.
What are the key properties of 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline?
2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline has a molecular weight of 366.99 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 43347655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).