4-bromo-2-(2-bromo-4-fluorophenoxy)aniline

C12H8Br2FNO — CID 65342586

IUPAC4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
SMILESNc1ccc(Br)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H8Br2FNO/c13-7-1-3-10(16)12(5-7)17-11-4-2-8(15)6-9(11)14/h1-6H,16H2
InChIKeyXPNFAAAHNZAABM-UHFFFAOYSA-N
MW361.01 g/mol
LogP4.73
Rot. Bonds2

About 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline

4-bromo-2-(2-bromo-4-fluorophenoxy)aniline (PubChem CID 65342586) has the molecular formula C12H8Br2FNO and a molecular weight of 361.01 g/mol. Its IUPAC name is 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline.

Molecular Properties

Compound Name4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
PubChem CID65342586
Molecular FormulaC12H8Br2FNO
Molecular Weight361.01 g/mol
Exact Mass358.90
IUPAC Name4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
SMILESNc1ccc(Br)cc1Oc1ccc(F)cc1Br
InChIInChI=1S/C12H8Br2FNO/c13-7-1-3-10(16)12(5-7)17-11-4-2-8(15)6-9(11)14/h1-6H,16H2
InChIKeyXPNFAAAHNZAABM-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.01
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
4-bromo-2-(2-bromo-4-fluorophenoxy)-5-fluoroaniline
CID 116736386
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
2-(2-bromo-4-fluorophenoxy)-4-fluoro-5-iodoaniline
CID 66100344
2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
CID 114061645
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
CID 63456931
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
1-[5-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanone
CID 82967321
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline?
The IUPAC name of 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline (CID 65342586) is 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline.
What is the SMILES notation for 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline?
The canonical SMILES for 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline is Nc1ccc(Br)cc1Oc1ccc(F)cc1Br.
What is the InChIKey of 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline?
The InChIKey is XPNFAAAHNZAABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNO/c13-7-1-3-10(16)12(5-7)17-11-4-2-8(15)6-9(11)14/h1-6H,16H2.
What are the key properties of 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline?
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline has a molecular weight of 361.01 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-bromo-4-fluorophenoxy)aniline is sourced from PubChem (CID 65342586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).