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

C13H8Br2ClFO — CID 114062604

IUPAC2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
SMILESFc1ccc(Oc2ccc(CCl)cc2Br)c(Br)c1
InChIInChI=1S/C13H8Br2ClFO/c14-10-5-8(7-16)1-3-12(10)18-13-4-2-9(17)6-11(13)15/h1-6H,7H2
InChIKeyVIVLMJHPRLPCJZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.88
Rot. Bonds3

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

2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene (PubChem CID 114062604) has the molecular formula C13H8Br2ClFO and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
PubChem CID114062604
Molecular FormulaC13H8Br2ClFO
Molecular Weight394.47 g/mol
Exact Mass391.86
IUPAC Name2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
SMILESFc1ccc(Oc2ccc(CCl)cc2Br)c(Br)c1
InChIInChI=1S/C13H8Br2ClFO/c14-10-5-8(7-16)1-3-12(10)18-13-4-2-9(17)6-11(13)15/h1-6H,7H2
InChIKeyVIVLMJHPRLPCJZ-UHFFFAOYSA-N
XLogP5.88
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 ≤ 55.88
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-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene
CID 114062638
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
CID 114061645
1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene
CID 159889013
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
CID 64720664
4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline
CID 63445972
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene (CID 114062604) is 2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene is Fc1ccc(Oc2ccc(CCl)cc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene?
The InChIKey is VIVLMJHPRLPCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2ClFO/c14-10-5-8(7-16)1-3-12(10)18-13-4-2-9(17)6-11(13)15/h1-6H,7H2.
What are the key properties of 2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene?
2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene has a molecular weight of 394.47 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene is sourced from PubChem (CID 114062604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).