2-bromo-4-fluoro-6-(trifluoromethyl)aniline

C7H4BrF4N — CID 7018045

IUPAC2-bromo-4-fluoro-6-(trifluoromethyl)aniline
SMILESNc1c(Br)cc(F)cc1C(F)(F)F
InChIInChI=1S/C7H4BrF4N/c8-5-2-3(9)1-4(6(5)13)7(10,11)12/h1-2H,13H2
InChIKeyOTYCOVZULSPPPW-UHFFFAOYSA-N
MW258.01 g/mol
LogP3.19
Rot. Bonds

About 2-bromo-4-fluoro-6-(trifluoromethyl)aniline

2-bromo-4-fluoro-6-(trifluoromethyl)aniline (PubChem CID 7018045) has the molecular formula C7H4BrF4N and a molecular weight of 258.01 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-(trifluoromethyl)aniline
PubChem CID7018045
Molecular FormulaC7H4BrF4N
Molecular Weight258.01 g/mol
Exact Mass256.95
IUPAC Name2-bromo-4-fluoro-6-(trifluoromethyl)aniline
SMILESNc1c(Br)cc(F)cc1C(F)(F)F
InChIInChI=1S/C7H4BrF4N/c8-5-2-3(9)1-4(6(5)13)7(10,11)12/h1-2H,13H2
InChIKeyOTYCOVZULSPPPW-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.01
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-5-(trifluoromethyl)aniline
CID 2735880
2-Bromo-4-fluoro-6-methylaniline
CID 2773378
2-Bromo-5-(trifluoromethyl)benzenamine
CID 67989
2,6-Dibromo-p-toluidine
CID 81427
4-Bromo-2-(trifluoromethyl)aniline
CID 67960
2-Bromo-4,6-dimethylaniline
CID 170579
2-Amino-3,5-dibromotoluene
CID 458688
2-Bromo-4-(1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl)-6-(trifluoromethyl)benzenamine
CID 58297558
2-Bromo-4-trifluoromethylaniline
CID 93899
2-Bromo-3-(trifluoromethyl)aniline
CID 94058
2-Bromo-4,6-Difluoroaniline
CID 136285
2-Bromo-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylaniline
CID 88531199

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-4-fluoro-6-(trifluoromethyl)aniline (CID 7018045) is 2-bromo-4-fluoro-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-4-fluoro-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-4-fluoro-6-(trifluoromethyl)aniline is Nc1c(Br)cc(F)cc1C(F)(F)F.
What is the InChIKey of 2-bromo-4-fluoro-6-(trifluoromethyl)aniline?
The InChIKey is OTYCOVZULSPPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4N/c8-5-2-3(9)1-4(6(5)13)7(10,11)12/h1-2H,13H2.
What are the key properties of 2-bromo-4-fluoro-6-(trifluoromethyl)aniline?
2-bromo-4-fluoro-6-(trifluoromethyl)aniline has a molecular weight of 258.01 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 7018045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).