2-bromo-6-iodo-3-(trifluoromethoxy)aniline

C7H4BrF3INO — CID 119002168

IUPAC2-bromo-6-iodo-3-(trifluoromethoxy)aniline
SMILESNc1c(I)ccc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H4BrF3INO/c8-5-4(14-7(9,10)11)2-1-3(12)6(5)13/h1-2H,13H2
InChIKeyFRWHZLNSSWGYFD-UHFFFAOYSA-N
MW381.92 g/mol
LogP3.53
Rot. Bonds1

About 2-bromo-6-iodo-3-(trifluoromethoxy)aniline

2-bromo-6-iodo-3-(trifluoromethoxy)aniline (PubChem CID 119002168) has the molecular formula C7H4BrF3INO and a molecular weight of 381.92 g/mol. Its IUPAC name is 2-bromo-6-iodo-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-bromo-6-iodo-3-(trifluoromethoxy)aniline
PubChem CID119002168
Molecular FormulaC7H4BrF3INO
Molecular Weight381.92 g/mol
Exact Mass380.85
IUPAC Name2-bromo-6-iodo-3-(trifluoromethoxy)aniline
SMILESNc1c(I)ccc(OC(F)(F)F)c1Br
InChIInChI=1S/C7H4BrF3INO/c8-5-4(14-7(9,10)11)2-1-3(12)6(5)13/h1-2H,13H2
InChIKeyFRWHZLNSSWGYFD-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.92
LogP ≤ 53.53
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

2-bromo-3-fluoro-6-(trifluoromethoxy)aniline
CID 118995381
2-bromo-1,3-diiodo-5-(trifluoromethoxy)benzene;2,6-diiodo-4-(trifluoromethoxy)aniline
CID 158214774
6-amino-2-bromo-3-(trifluoromethoxy)benzenesulfonamide
CID 134630706
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
2,3,4-tribromo-6-(trifluoromethoxy)aniline
CID 171368143
1,4-diiodo-2-(trifluoromethoxy)benzene
CID 146764437
3-amino-2-bromo-6-(trifluoromethoxy)benzonitrile
CID 131296547
5-chloro-4-iodo-2-(trifluoromethoxy)aniline
CID 130895645
3-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130699155
4-bromo-3-(trifluoromethoxy)aniline
CID 14129198
3,4-dibromo-5-(trifluoromethoxy)aniline
CID 121228147
1-bromo-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171033218

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-iodo-3-(trifluoromethoxy)aniline?
The IUPAC name of 2-bromo-6-iodo-3-(trifluoromethoxy)aniline (CID 119002168) is 2-bromo-6-iodo-3-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-bromo-6-iodo-3-(trifluoromethoxy)aniline?
The canonical SMILES for 2-bromo-6-iodo-3-(trifluoromethoxy)aniline is Nc1c(I)ccc(OC(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-6-iodo-3-(trifluoromethoxy)aniline?
The InChIKey is FRWHZLNSSWGYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3INO/c8-5-4(14-7(9,10)11)2-1-3(12)6(5)13/h1-2H,13H2.
What are the key properties of 2-bromo-6-iodo-3-(trifluoromethoxy)aniline?
2-bromo-6-iodo-3-(trifluoromethoxy)aniline has a molecular weight of 381.92 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-iodo-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 119002168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).