N-bromo-2-nitro-6-(trifluoromethyl)aniline

C7H4BrF3N2O2 — CID 150445517

IUPACN-bromo-2-nitro-6-(trifluoromethyl)aniline
SMILESO=[N+]([O-])c1cccc(C(F)(F)F)c1NBr
InChIInChI=1S/C7H4BrF3N2O2/c8-12-6-4(7(9,10)11)2-1-3-5(6)13(14)15/h1-3,12H
InChIKeyHMRHRABCZPFTMV-UHFFFAOYSA-N
MW285.02 g/mol
LogP3.34
Rot. Bonds2

About N-bromo-2-nitro-6-(trifluoromethyl)aniline

N-bromo-2-nitro-6-(trifluoromethyl)aniline (PubChem CID 150445517) has the molecular formula C7H4BrF3N2O2 and a molecular weight of 285.02 g/mol. Its IUPAC name is N-bromo-2-nitro-6-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-bromo-2-nitro-6-(trifluoromethyl)aniline
PubChem CID150445517
Molecular FormulaC7H4BrF3N2O2
Molecular Weight285.02 g/mol
Exact Mass283.94
IUPAC NameN-bromo-2-nitro-6-(trifluoromethyl)aniline
SMILESO=[N+]([O-])c1cccc(C(F)(F)F)c1NBr
InChIInChI=1S/C7H4BrF3N2O2/c8-12-6-4(7(9,10)11)2-1-3-5(6)13(14)15/h1-3,12H
InChIKeyHMRHRABCZPFTMV-UHFFFAOYSA-N
XLogP3.34
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.02
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-1-nitro-3-(trifluoromethyl)benzene
CID 46311753
2-nitro-6-(trifluoromethyl)aniline
CID 10703457
N-bromo-2-methyl-6-nitroaniline
CID 140553007
N,N-dimethyl-2-nitro-6-(trifluoromethyl)aniline
CID 164822565
2-ethyl-1-nitro-3-(trifluoromethyl)benzene
CID 121426134
methyl 2-nitro-6-(trifluoromethyl)benzoate
CID 46311175
1,2-dichloro-3-[2-nitro-6-(trifluoromethyl)phenyl]benzene
CID 118995063
3-nitro-2-(trifluoromethyl)benzenethiol
CID 171000764
[2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 118843609
1-(2-methyl-3-nitrophenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 1297073
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893
1-chloro-3-nitro-2-(trifluoromethyl)benzene
CID 11075091

Frequently Asked Questions

What is the IUPAC name of N-bromo-2-nitro-6-(trifluoromethyl)aniline?
The IUPAC name of N-bromo-2-nitro-6-(trifluoromethyl)aniline (CID 150445517) is N-bromo-2-nitro-6-(trifluoromethyl)aniline.
What is the SMILES notation for N-bromo-2-nitro-6-(trifluoromethyl)aniline?
The canonical SMILES for N-bromo-2-nitro-6-(trifluoromethyl)aniline is O=[N+]([O-])c1cccc(C(F)(F)F)c1NBr.
What is the InChIKey of N-bromo-2-nitro-6-(trifluoromethyl)aniline?
The InChIKey is HMRHRABCZPFTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O2/c8-12-6-4(7(9,10)11)2-1-3-5(6)13(14)15/h1-3,12H.
What are the key properties of N-bromo-2-nitro-6-(trifluoromethyl)aniline?
N-bromo-2-nitro-6-(trifluoromethyl)aniline has a molecular weight of 285.02 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-2-nitro-6-(trifluoromethyl)aniline is sourced from PubChem (CID 150445517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).