2-bromo-6-(trifluoromethyl)benzene-1,4-diamine

C7H6BrF3N2 — CID 67407678

IUPAC2-bromo-6-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1cc(Br)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C7H6BrF3N2/c8-5-2-3(12)1-4(6(5)13)7(9,10)11/h1-2H,12-13H2
InChIKeyLSGHACOYWSKARI-UHFFFAOYSA-N
MW255.04 g/mol
LogP2.63
Rot. Bonds

About 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine

2-bromo-6-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 67407678) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-6-(trifluoromethyl)benzene-1,4-diamine
PubChem CID67407678
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name2-bromo-6-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1cc(Br)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C7H6BrF3N2/c8-5-2-3(12)1-4(6(5)13)7(9,10)11/h1-2H,12-13H2
InChIKeyLSGHACOYWSKARI-UHFFFAOYSA-N
XLogP2.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine (CID 67407678) is 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine is Nc1cc(Br)c(N)c(C(F)(F)F)c1.
What is the InChIKey of 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is LSGHACOYWSKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/c8-5-2-3(12)1-4(6(5)13)7(9,10)11/h1-2H,12-13H2.
What are the key properties of 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine?
2-bromo-6-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 255.04 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 67407678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).