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

C14H11BrF4N2 — CID 107590972

IUPAC1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1cc(F)c(Br)cc1Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H11BrF4N2/c1-7-4-11(16)10(15)6-13(7)21-12-3-2-8(20)5-9(12)14(17,18)19/h2-6,21H,20H2,1H3
InChIKeyBZLPLQWGHOCJID-UHFFFAOYSA-N
MW363.15 g/mol
LogP5.24
Rot. Bonds2

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

1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 107590972) has the molecular formula C14H11BrF4N2 and a molecular weight of 363.15 g/mol. Its IUPAC name is 1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID107590972
Molecular FormulaC14H11BrF4N2
Molecular Weight363.15 g/mol
Exact Mass362.00
IUPAC Name1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1cc(F)c(Br)cc1Nc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H11BrF4N2/c1-7-4-11(16)10(15)6-13(7)21-12-3-2-8(20)5-9(12)14(17,18)19/h2-6,21H,20H2,1H3
InChIKeyBZLPLQWGHOCJID-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

1-N-(5-chloro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63403125
4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590965
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzene-1,3-diamine
CID 63401990
1-N-(4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935755
1-N-(2,6-difluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 60926447
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
CID 107590931
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
2-chloro-4-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylbenzene-1,4-diamine
CID 115554494
2-amino-6-(5-bromo-4-fluoro-2-methylanilino)-3-fluorobenzoic acid
CID 107592847
4-N-[4-bromo-2-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 65484973
1-N-(2-chloro-6-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 66253555

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 107590972) is 1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Cc1cc(F)c(Br)cc1Nc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is BZLPLQWGHOCJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF4N2/c1-7-4-11(16)10(15)6-13(7)21-12-3-2-8(20)5-9(12)14(17,18)19/h2-6,21H,20H2,1H3.
What are the key properties of 1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
1-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 1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 107590972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).