2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline

C13H9BrF3NO — CID 115511816

IUPAC2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C13H9BrF3NO/c14-9-7-8(13(15,16)17)5-6-11(9)19-12-4-2-1-3-10(12)18/h1-7H,18H2
InChIKeyABHYGQJIVGBHHY-UHFFFAOYSA-N
MW332.12 g/mol
LogP4.84
Rot. Bonds2

About 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline

2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline (PubChem CID 115511816) has the molecular formula C13H9BrF3NO and a molecular weight of 332.12 g/mol. Its IUPAC name is 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline.

Molecular Properties

Compound Name2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline
PubChem CID115511816
Molecular FormulaC13H9BrF3NO
Molecular Weight332.12 g/mol
Exact Mass330.98
IUPAC Name2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline
SMILESNc1ccccc1Oc1ccc(C(F)(F)F)cc1Br
InChIInChI=1S/C13H9BrF3NO/c14-9-7-8(13(15,16)17)5-6-11(9)19-12-4-2-1-3-10(12)18/h1-7H,18H2
InChIKeyABHYGQJIVGBHHY-UHFFFAOYSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.12
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline
CID 115511844
2-[2-bromo-4-(trifluoromethyl)phenoxy]-4-chloroaniline
CID 115511836
2-[2-bromo-4-(trifluoromethyl)phenoxy]-6-methylaniline
CID 115511828
2-[2-bromo-4-(trifluoromethyl)phenoxy]-3-fluoroaniline
CID 104832170
[2-(2-bromophenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528602
4-[2-bromo-4-(trifluoromethyl)phenoxy]-2-methylaniline
CID 115511819
2-(2-bromophenoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 43331321
2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 66487930
2-[2-[2-(2-aminophenoxy)phenoxy]phenoxy]aniline
CID 22338600
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
[4-[2-bromo-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 115512002
[2-(2-bromo-4-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43528674

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline?
The IUPAC name of 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline (CID 115511816) is 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline.
What is the SMILES notation for 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline?
The canonical SMILES for 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline is Nc1ccccc1Oc1ccc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline?
The InChIKey is ABHYGQJIVGBHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO/c14-9-7-8(13(15,16)17)5-6-11(9)19-12-4-2-1-3-10(12)18/h1-7H,18H2.
What are the key properties of 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline?
2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline has a molecular weight of 332.12 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline is sourced from PubChem (CID 115511816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).