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

C13H8Br2ClFO — CID 107088717

IUPAC1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
SMILESFc1cc(Oc2ccc(CBr)cc2Cl)ccc1Br
InChIInChI=1S/C13H8Br2ClFO/c14-7-8-1-4-13(11(16)5-8)18-9-2-3-10(15)12(17)6-9/h1-6H,7H2
InChIKeyZRLGGAXJPMAPDN-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.93
Rot. Bonds3

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

1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene (PubChem CID 107088717) has the molecular formula C13H8Br2ClFO and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
PubChem CID107088717
Molecular FormulaC13H8Br2ClFO
Molecular Weight394.47 g/mol
Exact Mass391.86
IUPAC Name1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene
SMILESFc1cc(Oc2ccc(CBr)cc2Cl)ccc1Br
InChIInChI=1S/C13H8Br2ClFO/c14-7-8-1-4-13(11(16)5-8)18-9-2-3-10(15)12(17)6-9/h1-6H,7H2
InChIKeyZRLGGAXJPMAPDN-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.93
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

[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]methanol
CID 81151526
4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
CID 107086354
1-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080
1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 65200927
(1S)-1-[4-(4-bromo-3-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 79004867
[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 65201220
4-(bromomethyl)-1-(4-tert-butylphenoxy)-2-chlorobenzene
CID 107086858
4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
CID 107086695
4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
CID 107086895
1,4-dibromo-2-[4-(bromomethyl)-2-chlorophenoxy]-5-methoxybenzene
CID 107088808
2-(4-bromo-3-fluorophenoxy)-4-chloro-5-fluoroaniline
CID 114089163

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene (CID 107088717) is 1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene is Fc1cc(Oc2ccc(CBr)cc2Cl)ccc1Br.
What is the InChIKey of 1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene?
The InChIKey is ZRLGGAXJPMAPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClFO/c14-7-8-1-4-13(11(16)5-8)18-9-2-3-10(15)12(17)6-9/h1-6H,7H2.
What are the key properties of 1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene?
1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene has a molecular weight of 394.47 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-(bromomethyl)-2-chlorophenoxy]-2-fluorobenzene is sourced from PubChem (CID 107088717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).