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

C13H8BrClF4N2 — CID 107609120

IUPAC4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(Cl)cc(F)cc2Br)cc1C(F)(F)F
InChIInChI=1S/C13H8BrClF4N2/c14-9-3-6(16)4-10(15)12(9)21-7-1-2-11(20)8(5-7)13(17,18)19/h1-5,21H,20H2
InChIKeyUTFFLFQUOBBISD-UHFFFAOYSA-N
MW383.57 g/mol
LogP5.59
Rot. Bonds2

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

4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 107609120) has the molecular formula C13H8BrClF4N2 and a molecular weight of 383.57 g/mol. Its IUPAC name is 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID107609120
Molecular FormulaC13H8BrClF4N2
Molecular Weight383.57 g/mol
Exact Mass381.95
IUPAC Name4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2c(Cl)cc(F)cc2Br)cc1C(F)(F)F
InChIInChI=1S/C13H8BrClF4N2/c14-9-3-6(16)4-10(15)12(9)21-7-1-2-11(20)8(5-7)13(17,18)19/h1-5,21H,20H2
InChIKeyUTFFLFQUOBBISD-UHFFFAOYSA-N
XLogP5.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.57
LogP ≤ 55.59
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-[2-amino-5-(2-bromo-6-chloro-4-fluoroanilino)phenyl]ethanone
CID 107609156
3,4-bis[4-amino-3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 169099220
4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 65468688
4-N-(3-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29067548
4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81263721
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63406446
2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine
CID 107609082
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylpyridin-4-amine
CID 107617932
4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 82799662
4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590965
2-(trifluoromethyl)-4-N-(2,4,5-trifluorophenyl)benzene-1,4-diamine
CID 62816929
N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 107609120) is 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Nc1ccc(Nc2c(Cl)cc(F)cc2Br)cc1C(F)(F)F.
What is the InChIKey of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is UTFFLFQUOBBISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF4N2/c14-9-3-6(16)4-10(15)12(9)21-7-1-2-11(20)8(5-7)13(17,18)19/h1-5,21H,20H2.
What are the key properties of 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 383.57 g/mol, XLogP of 5.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 107609120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).