2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene

C13H8Br3FO — CID 114061645

IUPAC2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
SMILESFc1ccc(Oc2ccc(Br)cc2CBr)c(Br)c1
InChIInChI=1S/C13H8Br3FO/c14-7-8-5-9(15)1-3-12(8)18-13-4-2-10(17)6-11(13)16/h1-6H,7H2
InChIKeyFYYSXKXIKYVPRQ-UHFFFAOYSA-N
MW438.92 g/mol
LogP6.04
Rot. Bonds3

About 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene

2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene (PubChem CID 114061645) has the molecular formula C13H8Br3FO and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
PubChem CID114061645
Molecular FormulaC13H8Br3FO
Molecular Weight438.92 g/mol
Exact Mass435.81
IUPAC Name2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
SMILESFc1ccc(Oc2ccc(Br)cc2CBr)c(Br)c1
InChIInChI=1S/C13H8Br3FO/c14-7-8-5-9(15)1-3-12(8)18-13-4-2-10(17)6-11(13)16/h1-6H,7H2
InChIKeyFYYSXKXIKYVPRQ-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
1-[5-bromo-2-(bromomethyl)phenoxy]-2,4-difluorobenzene
CID 107086532
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
1-[4-bromo-2-(chloromethyl)phenoxy]-2,4-difluorobenzene
CID 114061643
4-bromo-2-(bromomethyl)-1-(2-methylsulfanylphenoxy)benzene
CID 114061682
2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114062604
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
CID 114267907
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene (CID 114061645) is 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene is Fc1ccc(Oc2ccc(Br)cc2CBr)c(Br)c1.
What is the InChIKey of 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene?
The InChIKey is FYYSXKXIKYVPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br3FO/c14-7-8-5-9(15)1-3-12(8)18-13-4-2-10(17)6-11(13)16/h1-6H,7H2.
What are the key properties of 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene?
2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene has a molecular weight of 438.92 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene is sourced from PubChem (CID 114061645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).