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

C7H5BrF2INO — CID 131323570

IUPAC5-bromo-4-(difluoromethoxy)-2-iodoaniline
SMILESNc1cc(Br)c(OC(F)F)cc1I
InChIInChI=1S/C7H5BrF2INO/c8-3-1-5(12)4(11)2-6(3)13-7(9)10/h1-2,7H,12H2
InChIKeyBMTSZIQJJBOKOQ-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.24
Rot. Bonds2

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

5-bromo-4-(difluoromethoxy)-2-iodoaniline (PubChem CID 131323570) has the molecular formula C7H5BrF2INO and a molecular weight of 363.93 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethoxy)-2-iodoaniline.

Molecular Properties

Compound Name5-bromo-4-(difluoromethoxy)-2-iodoaniline
PubChem CID131323570
Molecular FormulaC7H5BrF2INO
Molecular Weight363.93 g/mol
Exact Mass362.86
IUPAC Name5-bromo-4-(difluoromethoxy)-2-iodoaniline
SMILESNc1cc(Br)c(OC(F)F)cc1I
InChIInChI=1S/C7H5BrF2INO/c8-3-1-5(12)4(11)2-6(3)13-7(9)10/h1-2,7H,12H2
InChIKeyBMTSZIQJJBOKOQ-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-amino-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131281119
2-bromo-4-(difluoromethoxy)-5-fluoroaniline
CID 131289039
5-bromo-2-(difluoromethoxy)-4-(trifluoromethyl)aniline
CID 131404488
2-bromo-4-(difluoromethoxy)-5-methoxyaniline
CID 68604722
1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene
CID 118824768
2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene
CID 118819083
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
1-[5-bromo-2-(difluoromethoxy)-4-iodophenyl]ethanone
CID 131597786
2,5-dibromo-4-(difluoromethoxy)benzoic acid
CID 119002242
[4-bromo-3-(difluoromethoxy)phenyl]hydrazine
CID 130849725
6-bromo-5-(difluoromethoxy)-1H-indole
CID 134449042
2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131266855

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethoxy)-2-iodoaniline?
The IUPAC name of 5-bromo-4-(difluoromethoxy)-2-iodoaniline (CID 131323570) is 5-bromo-4-(difluoromethoxy)-2-iodoaniline.
What is the SMILES notation for 5-bromo-4-(difluoromethoxy)-2-iodoaniline?
The canonical SMILES for 5-bromo-4-(difluoromethoxy)-2-iodoaniline is Nc1cc(Br)c(OC(F)F)cc1I.
What is the InChIKey of 5-bromo-4-(difluoromethoxy)-2-iodoaniline?
The InChIKey is BMTSZIQJJBOKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2INO/c8-3-1-5(12)4(11)2-6(3)13-7(9)10/h1-2,7H,12H2.
What are the key properties of 5-bromo-4-(difluoromethoxy)-2-iodoaniline?
5-bromo-4-(difluoromethoxy)-2-iodoaniline has a molecular weight of 363.93 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethoxy)-2-iodoaniline is sourced from PubChem (CID 131323570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).