5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine

C7H6BrF3N2O — CID 51342059

IUPAC5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine
SMILESNc1cc(Br)cc(OC(F)(F)F)c1N
InChIInChI=1S/C7H6BrF3N2O/c8-3-1-4(12)6(13)5(2-3)14-7(9,10)11/h1-2H,12-13H2
InChIKeyRYEPQWQPPUMGJA-UHFFFAOYSA-N
MW271.04 g/mol
LogP2.51
Rot. Bonds1

About 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine

5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine (PubChem CID 51342059) has the molecular formula C7H6BrF3N2O and a molecular weight of 271.04 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine
PubChem CID51342059
Molecular FormulaC7H6BrF3N2O
Molecular Weight271.04 g/mol
Exact Mass269.96
IUPAC Name5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine
SMILESNc1cc(Br)cc(OC(F)(F)F)c1N
InChIInChI=1S/C7H6BrF3N2O/c8-3-1-4(12)6(13)5(2-3)14-7(9,10)11/h1-2H,12-13H2
InChIKeyRYEPQWQPPUMGJA-UHFFFAOYSA-N
XLogP2.51
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.04
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine?
The IUPAC name of 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine (CID 51342059) is 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine.
What is the SMILES notation for 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine?
The canonical SMILES for 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine is Nc1cc(Br)cc(OC(F)(F)F)c1N.
What is the InChIKey of 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine?
The InChIKey is RYEPQWQPPUMGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O/c8-3-1-4(12)6(13)5(2-3)14-7(9,10)11/h1-2H,12-13H2.
What are the key properties of 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine?
5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine has a molecular weight of 271.04 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(trifluoromethoxy)benzene-1,2-diamine is sourced from PubChem (CID 51342059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).