4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol

C13H8BrF4NO — CID 79891767

IUPAC4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2c(F)cc(F)cc2Br)cc1F
InChIInChI=1S/C13H8BrF4NO/c14-8-3-7(15)4-9(16)12(8)19-5-6-1-10(17)13(20)11(18)2-6/h1-4,19-20H,5H2
InChIKeyHRYFYRGMQOSKSE-UHFFFAOYSA-N
MW350.11 g/mol
LogP4.32
Rot. Bonds3

About 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol

4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol (PubChem CID 79891767) has the molecular formula C13H8BrF4NO and a molecular weight of 350.11 g/mol. Its IUPAC name is 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
PubChem CID79891767
Molecular FormulaC13H8BrF4NO
Molecular Weight350.11 g/mol
Exact Mass348.97
IUPAC Name4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
SMILESOc1c(F)cc(CNc2c(F)cc(F)cc2Br)cc1F
InChIInChI=1S/C13H8BrF4NO/c14-8-3-7(15)4-9(16)12(8)19-5-6-1-10(17)13(20)11(18)2-6/h1-4,19-20H,5H2
InChIKeyHRYFYRGMQOSKSE-UHFFFAOYSA-N
XLogP4.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 83081403
2-bromo-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4,6-difluoroaniline
CID 43775017
2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
CID 43168289
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-bromo-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4,6-difluoroaniline
CID 43168236
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-bromo-4,6-difluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880726
4-[(2-bromoanilino)methyl]-2,6-difluorophenol
CID 79886224
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-bromo-6-chloro-N-[(3,5-difluorophenyl)methyl]-4-fluoroaniline
CID 107610048
2-(2-bromo-4,6-difluoroanilino)-N'-hydroxyethanimidamide
CID 77028981
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43775035

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol (CID 79891767) is 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol is Oc1c(F)cc(CNc2c(F)cc(F)cc2Br)cc1F.
What is the InChIKey of 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol?
The InChIKey is HRYFYRGMQOSKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4NO/c14-8-3-7(15)4-9(16)12(8)19-5-6-1-10(17)13(20)11(18)2-6/h1-4,19-20H,5H2.
What are the key properties of 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol?
4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol has a molecular weight of 350.11 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol is sourced from PubChem (CID 79891767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).