1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine

C13H10Br2F2N2 — CID 107596454

IUPAC1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(Br)cccc2Br)c(C(F)F)c1
InChIInChI=1S/C13H10Br2F2N2/c14-9-2-1-3-10(15)12(9)19-11-5-4-7(18)6-8(11)13(16)17/h1-6,13,19H,18H2
InChIKeyKCDMROPOJGAXIX-UHFFFAOYSA-N
MW392.04 g/mol
LogP5.47
Rot. Bonds3

About 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine

1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine (PubChem CID 107596454) has the molecular formula C13H10Br2F2N2 and a molecular weight of 392.04 g/mol. Its IUPAC name is 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine
PubChem CID107596454
Molecular FormulaC13H10Br2F2N2
Molecular Weight392.04 g/mol
Exact Mass389.92
IUPAC Name1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(Br)cccc2Br)c(C(F)F)c1
InChIInChI=1S/C13H10Br2F2N2/c14-9-2-1-3-10(15)12(9)19-11-5-4-7(18)6-8(11)13(16)17/h1-6,13,19H,18H2
InChIKeyKCDMROPOJGAXIX-UHFFFAOYSA-N
XLogP5.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.04
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(difluoromethyl)-1-N-(2,6-difluorophenyl)benzene-1,4-diamine
CID 63748294
1-N-(2,6-dichlorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65469470
1-N-(4-bromo-3-fluorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 65437443
2-chloro-1-N-(2,6-dibromophenyl)benzene-1,4-diamine
CID 107596513
1-N-(3-bromo-5-methylphenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 107581784
1-N-(5-bromo-3-pyridinyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 114222223
1-N-(4-bromo-3-methoxyphenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 82858182
1-N-[(3-bromophenyl)methyl]-2-(difluoromethyl)benzene-1,4-diamine
CID 63734257
2-(difluoromethyl)-1-N-(2,4-dimethylphenyl)benzene-1,4-diamine
CID 55231380
2-(difluoromethyl)-1-N-(4-fluoro-3-methylphenyl)benzene-1,4-diamine
CID 63735827
2-[4-amino-2-(difluoromethyl)anilino]benzonitrile
CID 55231381
1-N-(3-chloro-4-fluorophenyl)-2-(difluoromethyl)benzene-1,4-diamine
CID 63750431

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine (CID 107596454) is 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine is Nc1ccc(Nc2c(Br)cccc2Br)c(C(F)F)c1.
What is the InChIKey of 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine?
The InChIKey is KCDMROPOJGAXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2F2N2/c14-9-2-1-3-10(15)12(9)19-11-5-4-7(18)6-8(11)13(16)17/h1-6,13,19H,18H2.
What are the key properties of 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine?
1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine has a molecular weight of 392.04 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dibromophenyl)-2-(difluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 107596454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).