4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline

C11H7BrF2INO — CID 65469111

IUPAC4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESFc1cc(Br)cc(F)c1NCc1ccc(I)o1
InChIInChI=1S/C11H7BrF2INO/c12-6-3-8(13)11(9(14)4-6)16-5-7-1-2-10(15)17-7/h1-4,16H,5H2
InChIKeyMUOHYLUWPWQUSV-UHFFFAOYSA-N
MW413.99 g/mol
LogP4.54
Rot. Bonds3

About 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline

4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline (PubChem CID 65469111) has the molecular formula C11H7BrF2INO and a molecular weight of 413.99 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
PubChem CID65469111
Molecular FormulaC11H7BrF2INO
Molecular Weight413.99 g/mol
Exact Mass412.87
IUPAC Name4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
SMILESFc1cc(Br)cc(F)c1NCc1ccc(I)o1
InChIInChI=1S/C11H7BrF2INO/c12-6-3-8(13)11(9(14)4-6)16-5-7-1-2-10(15)17-7/h1-4,16H,5H2
InChIKeyMUOHYLUWPWQUSV-UHFFFAOYSA-N
XLogP4.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6-pentafluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 115564209
2,6-dibromo-4-chloro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 114208979
3,4-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43761592
2,3-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 61076991
N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline
CID 43347655
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline
CID 62345433
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
4-fluoro-N-[(5-iodofuran-2-yl)methyl]-3-nitroaniline
CID 43785700
4-[(4-bromo-2,6-difluoroanilino)methyl]benzene-1,3-diol
CID 65468517

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline (CID 65469111) is 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline is Fc1cc(Br)cc(F)c1NCc1ccc(I)o1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
The InChIKey is MUOHYLUWPWQUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2INO/c12-6-3-8(13)11(9(14)4-6)16-5-7-1-2-10(15)17-7/h1-4,16H,5H2.
What are the key properties of 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline?
4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline has a molecular weight of 413.99 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-[(5-iodofuran-2-yl)methyl]aniline is sourced from PubChem (CID 65469111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).