2-bromo-5-iodo-3-(trifluoromethyl)aniline

C7H4BrF3IN — CID 118994035

IUPAC2-bromo-5-iodo-3-(trifluoromethyl)aniline
SMILESNc1cc(I)cc(C(F)(F)F)c1Br
InChIInChI=1S/C7H4BrF3IN/c8-6-4(7(9,10)11)1-3(12)2-5(6)13/h1-2H,13H2
InChIKeyCCJHGKQUBRVLRW-UHFFFAOYSA-N
MW365.92 g/mol
LogP3.65
Rot. Bonds

About 2-bromo-5-iodo-3-(trifluoromethyl)aniline

2-bromo-5-iodo-3-(trifluoromethyl)aniline (PubChem CID 118994035) has the molecular formula C7H4BrF3IN and a molecular weight of 365.92 g/mol. Its IUPAC name is 2-bromo-5-iodo-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-iodo-3-(trifluoromethyl)aniline
PubChem CID118994035
Molecular FormulaC7H4BrF3IN
Molecular Weight365.92 g/mol
Exact Mass364.85
IUPAC Name2-bromo-5-iodo-3-(trifluoromethyl)aniline
SMILESNc1cc(I)cc(C(F)(F)F)c1Br
InChIInChI=1S/C7H4BrF3IN/c8-6-4(7(9,10)11)1-3(12)2-5(6)13/h1-2H,13H2
InChIKeyCCJHGKQUBRVLRW-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.92
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-iodo-3-(trifluoromethyl)aniline
CID 130970256
3,4-dibromo-5-(trifluoromethyl)aniline
CID 121228150
5-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130730619
1-bromo-5-iodo-2-methyl-3-(trifluoromethyl)benzene
CID 154630994
methyl 3-amino-4-bromo-5-(trifluoromethyl)benzoate
CID 131398772
4-bromo-2-iodo-6-(trifluoromethyl)aniline
CID 118817127
1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene
CID 131699534
[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine
CID 171010565
1,3,5-triiodo-2-(trifluoromethyl)benzene
CID 54176960
4-bromo-3-iodo-5-(trifluoromethyl)benzonitrile
CID 166637967
[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol
CID 130775166
2-bromo-4-methyl-5-(trifluoromethyl)aniline
CID 53416665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-iodo-3-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-5-iodo-3-(trifluoromethyl)aniline (CID 118994035) is 2-bromo-5-iodo-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-5-iodo-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-5-iodo-3-(trifluoromethyl)aniline is Nc1cc(I)cc(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-5-iodo-3-(trifluoromethyl)aniline?
The InChIKey is CCJHGKQUBRVLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3IN/c8-6-4(7(9,10)11)1-3(12)2-5(6)13/h1-2H,13H2.
What are the key properties of 2-bromo-5-iodo-3-(trifluoromethyl)aniline?
2-bromo-5-iodo-3-(trifluoromethyl)aniline has a molecular weight of 365.92 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-iodo-3-(trifluoromethyl)aniline is sourced from PubChem (CID 118994035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).