1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine

C12H8BrF3N2 — CID 65467733

IUPAC1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2c(F)cc(Br)cc2F)c(F)c1
InChIInChI=1S/C12H8BrF3N2/c13-6-3-9(15)12(10(16)4-6)18-11-2-1-7(17)5-8(11)14/h1-5,18H,17H2
InChIKeyRVXQLARKSQAJQF-UHFFFAOYSA-N
MW317.11 g/mol
LogP4.19
Rot. Bonds2

About 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine

1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine (PubChem CID 65467733) has the molecular formula C12H8BrF3N2 and a molecular weight of 317.11 g/mol. Its IUPAC name is 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine
PubChem CID65467733
Molecular FormulaC12H8BrF3N2
Molecular Weight317.11 g/mol
Exact Mass315.98
IUPAC Name1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine
SMILESNc1ccc(Nc2c(F)cc(Br)cc2F)c(F)c1
InChIInChI=1S/C12H8BrF3N2/c13-6-3-9(15)12(10(16)4-6)18-11-2-1-7(17)5-8(11)14/h1-5,18H,17H2
InChIKeyRVXQLARKSQAJQF-UHFFFAOYSA-N
XLogP4.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.11
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-bromo-2,6-difluorophenyl)-2-chlorobenzene-1,4-diamine
CID 65468110
1-N-(4-chloro-2-fluorophenyl)-2,6-difluorobenzene-1,4-diamine
CID 54954908
4-bromo-2-N-(4-bromo-2,6-difluorophenyl)-5-fluorobenzene-1,2-diamine
CID 116736046
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117
3-N-(4-bromo-2-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 62590139
1-N-(5-bromo-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902992
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
1-N-(3,4-difluorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067140
2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
CID 29066900
1-N-(2-bromo-3-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 103477514
2-N-(4-bromo-2,6-difluorophenyl)-1,3-benzoxazole-2,6-diamine
CID 79893467
2-N-(4-bromo-2-fluorophenyl)-3-methylbenzene-1,2-diamine
CID 115549996

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine?
The IUPAC name of 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine (CID 65467733) is 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine is Nc1ccc(Nc2c(F)cc(Br)cc2F)c(F)c1.
What is the InChIKey of 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine?
The InChIKey is RVXQLARKSQAJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2/c13-6-3-9(15)12(10(16)4-6)18-11-2-1-7(17)5-8(11)14/h1-5,18H,17H2.
What are the key properties of 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine?
1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine has a molecular weight of 317.11 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromo-2,6-difluorophenyl)-2-fluorobenzene-1,4-diamine is sourced from PubChem (CID 65467733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).