1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene

C14H9Br2Cl2FO — CID 107745489

IUPAC1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
SMILESFc1cccc(COc2c(Br)cc(CCl)cc2Br)c1Cl
InChIInChI=1S/C14H9Br2Cl2FO/c15-10-4-8(6-17)5-11(16)14(10)20-7-9-2-1-3-12(19)13(9)18/h1-5H,6-7H2
InChIKeyLIAPRSCBMDWXAP-UHFFFAOYSA-N
MW442.94 g/mol
LogP6.32
Rot. Bonds4

About 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene

1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene (PubChem CID 107745489) has the molecular formula C14H9Br2Cl2FO and a molecular weight of 442.94 g/mol. Its IUPAC name is 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
PubChem CID107745489
Molecular FormulaC14H9Br2Cl2FO
Molecular Weight442.94 g/mol
Exact Mass439.84
IUPAC Name1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
SMILESFc1cccc(COc2c(Br)cc(CCl)cc2Br)c1Cl
InChIInChI=1S/C14H9Br2Cl2FO/c15-10-4-8(6-17)5-11(16)14(10)20-7-9-2-1-3-12(19)13(9)18/h1-5H,6-7H2
InChIKeyLIAPRSCBMDWXAP-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.94
LogP ≤ 56.32
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

1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745268
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1,3-dibromo-2-[(5-bromo-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745416
2-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739433
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
2-[2-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115984055
1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene
CID 112652328
1,3-dibromo-5-(chloromethyl)-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 107745450

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene?
The IUPAC name of 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene (CID 107745489) is 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene?
The canonical SMILES for 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene is Fc1cccc(COc2c(Br)cc(CCl)cc2Br)c1Cl.
What is the InChIKey of 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene?
The InChIKey is LIAPRSCBMDWXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2FO/c15-10-4-8(6-17)5-11(16)14(10)20-7-9-2-1-3-12(19)13(9)18/h1-5H,6-7H2.
What are the key properties of 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene?
1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene has a molecular weight of 442.94 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene is sourced from PubChem (CID 107745489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).