2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline

C8H6BrF4NO — CID 143371208

IUPAC2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline
SMILESCONc1cc(F)cc(C(F)(F)F)c1Br
InChIInChI=1S/C8H6BrF4NO/c1-15-14-6-3-4(10)2-5(7(6)9)8(11,12)13/h2-3,14H,1H3
InChIKeyINNMVIQHVBRBFM-UHFFFAOYSA-N
MW288.04 g/mol
LogP3.58
Rot. Bonds2

About 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline

2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline (PubChem CID 143371208) has the molecular formula C8H6BrF4NO and a molecular weight of 288.04 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline
PubChem CID143371208
Molecular FormulaC8H6BrF4NO
Molecular Weight288.04 g/mol
Exact Mass286.96
IUPAC Name2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline
SMILESCONc1cc(F)cc(C(F)(F)F)c1Br
InChIInChI=1S/C8H6BrF4NO/c1-15-14-6-3-4(10)2-5(7(6)9)8(11,12)13/h2-3,14H,1H3
InChIKeyINNMVIQHVBRBFM-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-bromo-5-fluoro-3-(trifluoromethyl)phenyl]-methoxyazanium
CID 143371207
1-bromo-5-fluoro-2-(methoxymethoxy)-3-(trifluoromethyl)benzene
CID 171368249
2-bromo-1-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)benzene
CID 171033276
1-bromo-5-fluoro-2-methyl-3-(trifluoromethyl)benzene
CID 155463935
[2-chloro-5-fluoro-3-(trifluoromethyl)phenyl]thiourea
CID 169358029
5-fluoro-1-iodo-2-methoxy-3-(trifluoromethyl)benzene
CID 99769948
1-bromo-5-fluoro-2-iodo-3-(trifluoromethyl)benzene
CID 46735226
1-bromo-4-fluoro-2-(trifluoromethyl)benzene;ethane
CID 144882970
2-[[5-fluoro-2-methoxy-3-(trifluoromethyl)anilino]methylidene]propanedinitrile
CID 168544118
N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 23275300
1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
CID 119018682
methyl 2-bromo-3,5-bis(trifluoromethyl)benzoate
CID 134645650

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline (CID 143371208) is 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline is CONc1cc(F)cc(C(F)(F)F)c1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline?
The InChIKey is INNMVIQHVBRBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF4NO/c1-15-14-6-3-4(10)2-5(7(6)9)8(11,12)13/h2-3,14H,1H3.
What are the key properties of 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline?
2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline has a molecular weight of 288.04 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-methoxy-3-(trifluoromethyl)aniline is sourced from PubChem (CID 143371208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).