2-bromo-4-(difluoromethoxy)-5-methoxyaniline

C8H8BrF2NO2 — CID 68604722

IUPAC2-bromo-4-(difluoromethoxy)-5-methoxyaniline
SMILESCOc1cc(N)c(Br)cc1OC(F)F
InChIInChI=1S/C8H8BrF2NO2/c1-13-6-3-5(12)4(9)2-7(6)14-8(10)11/h2-3,8H,12H2,1H3
InChIKeyDBXWNRASPULQSQ-UHFFFAOYSA-N
MW268.06 g/mol
LogP2.64
Rot. Bonds3

About 2-bromo-4-(difluoromethoxy)-5-methoxyaniline

2-bromo-4-(difluoromethoxy)-5-methoxyaniline (PubChem CID 68604722) has the molecular formula C8H8BrF2NO2 and a molecular weight of 268.06 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethoxy)-5-methoxyaniline.

Molecular Properties

Compound Name2-bromo-4-(difluoromethoxy)-5-methoxyaniline
PubChem CID68604722
Molecular FormulaC8H8BrF2NO2
Molecular Weight268.06 g/mol
Exact Mass266.97
IUPAC Name2-bromo-4-(difluoromethoxy)-5-methoxyaniline
SMILESCOc1cc(N)c(Br)cc1OC(F)F
InChIInChI=1S/C8H8BrF2NO2/c1-13-6-3-5(12)4(9)2-7(6)14-8(10)11/h2-3,8H,12H2,1H3
InChIKeyDBXWNRASPULQSQ-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.06
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-(difluoromethoxy)-5-fluoroaniline
CID 131289039
1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene
CID 90768818
ethyl 5-amino-4-bromo-2-(difluoromethoxy)benzoate
CID 171019526
1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
CID 119008038
5-bromo-4-(difluoromethoxy)-2-iodoaniline
CID 131323570
[4-bromo-3-(difluoromethoxy)phenyl]hydrazine
CID 130849725
[3-bromo-4-(difluoromethoxy)-5-methoxyphenyl]methanamine
CID 43622273
2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide
CID 166391046
CID 134890786
CID 134890786
5-bromo-2-(difluoromethoxy)-4-(trifluoromethyl)aniline
CID 131404488
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethoxy)-5-methoxyaniline?
The IUPAC name of 2-bromo-4-(difluoromethoxy)-5-methoxyaniline (CID 68604722) is 2-bromo-4-(difluoromethoxy)-5-methoxyaniline.
What is the SMILES notation for 2-bromo-4-(difluoromethoxy)-5-methoxyaniline?
The canonical SMILES for 2-bromo-4-(difluoromethoxy)-5-methoxyaniline is COc1cc(N)c(Br)cc1OC(F)F.
What is the InChIKey of 2-bromo-4-(difluoromethoxy)-5-methoxyaniline?
The InChIKey is DBXWNRASPULQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO2/c1-13-6-3-5(12)4(9)2-7(6)14-8(10)11/h2-3,8H,12H2,1H3.
What are the key properties of 2-bromo-4-(difluoromethoxy)-5-methoxyaniline?
2-bromo-4-(difluoromethoxy)-5-methoxyaniline has a molecular weight of 268.06 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethoxy)-5-methoxyaniline is sourced from PubChem (CID 68604722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).