2-bromo-4-fluoro-3-(trifluoromethoxy)aniline

C7H4BrF4NO — CID 119010333

IUPAC2-bromo-4-fluoro-3-(trifluoromethoxy)aniline
SMILESNc1ccc(F)c(OC(F)(F)F)c1Br
InChIInChI=1S/C7H4BrF4NO/c8-5-4(13)2-1-3(9)6(5)14-7(10,11)12/h1-2H,13H2
InChIKeyTZFXHVIGTHQKEC-UHFFFAOYSA-N
MW274.01 g/mol
LogP3.07
Rot. Bonds1

About 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline

2-bromo-4-fluoro-3-(trifluoromethoxy)aniline (PubChem CID 119010333) has the molecular formula C7H4BrF4NO and a molecular weight of 274.01 g/mol. Its IUPAC name is 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-3-(trifluoromethoxy)aniline
PubChem CID119010333
Molecular FormulaC7H4BrF4NO
Molecular Weight274.01 g/mol
Exact Mass272.94
IUPAC Name2-bromo-4-fluoro-3-(trifluoromethoxy)aniline
SMILESNc1ccc(F)c(OC(F)(F)F)c1Br
InChIInChI=1S/C7H4BrF4NO/c8-5-4(13)2-1-3(9)6(5)14-7(10,11)12/h1-2H,13H2
InChIKeyTZFXHVIGTHQKEC-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.01
LogP ≤ 53.07
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

4-fluoro-3-(trifluoromethoxy)benzene-1,2-diamine
CID 99770322
3-bromo-5-fluoro-2-methoxy-4-(trifluoromethoxy)aniline
CID 98041889
2-bromo-3-fluoro-6-(trifluoromethoxy)aniline
CID 118995381
[3-amino-6-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261843
3-bromo-2-(trifluoromethoxy)-4-(trifluoromethylsulfanyl)aniline
CID 134625251
4-amino-2-bromo-3-(trifluoromethoxy)benzoic acid
CID 118834468
3-amino-6-bromo-2-(trifluoromethoxy)benzaldehyde
CID 131287442
3-amino-2-bromo-6-(trifluoromethoxy)benzonitrile
CID 131296547
3-bromo-2-(trifluoromethoxy)pyridin-4-amine
CID 130088966
1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
CID 118841593
1-[6-amino-3-bromo-2-(trifluoromethoxy)phenyl]ethanone
CID 131465353
N-[6-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]formamide
CID 168651965

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline?
The IUPAC name of 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline (CID 119010333) is 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline?
The canonical SMILES for 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline is Nc1ccc(F)c(OC(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline?
The InChIKey is TZFXHVIGTHQKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4NO/c8-5-4(13)2-1-3(9)6(5)14-7(10,11)12/h1-2H,13H2.
What are the key properties of 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline?
2-bromo-4-fluoro-3-(trifluoromethoxy)aniline has a molecular weight of 274.01 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 119010333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).