4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

C14H11BrF4N2 — CID 107590965

IUPAC4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1cc(F)c(Br)cc1Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H11BrF4N2/c1-7-4-11(16)10(15)6-13(7)21-8-2-3-12(20)9(5-8)14(17,18)19/h2-6,21H,20H2,1H3
InChIKeyALALCIFUZXVCGO-UHFFFAOYSA-N
MW363.15 g/mol
LogP5.24
Rot. Bonds2

About 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 107590965) has the molecular formula C14H11BrF4N2 and a molecular weight of 363.15 g/mol. Its IUPAC name is 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID107590965
Molecular FormulaC14H11BrF4N2
Molecular Weight363.15 g/mol
Exact Mass362.00
IUPAC Name4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1cc(F)c(Br)cc1Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H11BrF4N2/c1-7-4-11(16)10(15)6-13(7)21-8-2-3-12(20)9(5-8)14(17,18)19/h2-6,21H,20H2,1H3
InChIKeyALALCIFUZXVCGO-UHFFFAOYSA-N
XLogP5.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.15
LogP ≤ 55.24
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

4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63406446
1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590972
2-(trifluoromethyl)-4-N-(2,4,5-trifluorophenyl)benzene-1,4-diamine
CID 62816929
4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81263721
4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 65468688
4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 82799662
4-bromo-5-fluoro-1-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 66111485
4-bromo-5-fluoro-1-N-(4-fluoro-3-methylphenyl)benzene-1,2-diamine
CID 66111335
tert-butyl N-[4-amino-3-(5-bromo-4-fluoro-2-methylanilino)phenyl]carbamate
CID 114199958
4-amino-3-(5-bromo-4-fluoro-2-methylanilino)benzenesulfonamide
CID 107590941
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 107590965) is 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Cc1cc(F)c(Br)cc1Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is ALALCIFUZXVCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF4N2/c1-7-4-11(16)10(15)6-13(7)21-8-2-3-12(20)9(5-8)14(17,18)19/h2-6,21H,20H2,1H3.
What are the key properties of 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 363.15 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 107590965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).