1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene

Name: 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₉BrF₂O — CID 63531797

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene

SMILESFc1ccc(COc2ccc(Br)cc2)c(F)c1

InChIInChI=1S/C13H9BrF2O/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-7H,8H2

InChIKeyJZIKKLTYMIBTJV-UHFFFAOYSA-N

MW299.11 g/mol

LogP4.31

Rot. Bonds3

About 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene

1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene (PubChem CID 63531797) has the molecular formula C₁₃H₉BrF₂O and a molecular weight of 299.11 g/mol. Its IUPAC name is 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name	1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
PubChem CID	63531797
Molecular Formula	C₁₃H₉BrF₂O
Molecular Weight	299.11 g/mol
Exact Mass	297.98
IUPAC Name	1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
SMILES	Fc1ccc(COc2ccc(Br)cc2)c(F)c1
InChI	InChI=1S/C13H9BrF2O/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-7H,8H2
InChIKey	JZIKKLTYMIBTJV-UHFFFAOYSA-N
XLogP	4.31
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.11
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene?

The IUPAC name of 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene (CID 63531797) is 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene.

What is the SMILES notation for 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene?

The canonical SMILES for 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene is Fc1ccc(COc2ccc(Br)cc2)c(F)c1.

What is the InChIKey of 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene?

The InChIKey is JZIKKLTYMIBTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-7H,8H2.

What are the key properties of 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene?

1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene has a molecular weight of 299.11 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 63531797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63531797 — identifiers, structure, computed properties (public domain)

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