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

C14H9Br2Cl2FO — CID 107745268

IUPAC1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
SMILESFc1ccc(Cl)cc1COc1c(Br)cc(CCl)cc1Br
InChIInChI=1S/C14H9Br2Cl2FO/c15-11-3-8(6-17)4-12(16)14(11)20-7-9-5-10(18)1-2-13(9)19/h1-5H,6-7H2
InChIKeyXGCZKSPNIJYLLC-UHFFFAOYSA-N
MW442.94 g/mol
LogP6.32
Rot. Bonds4

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

1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene (PubChem CID 107745268) has the molecular formula C14H9Br2Cl2FO and a molecular weight of 442.94 g/mol. Its IUPAC name is 1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
PubChem CID107745268
Molecular FormulaC14H9Br2Cl2FO
Molecular Weight442.94 g/mol
Exact Mass439.84
IUPAC Name1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
SMILESFc1ccc(Cl)cc1COc1c(Br)cc(CCl)cc1Br
InChIInChI=1S/C14H9Br2Cl2FO/c15-11-3-8(6-17)4-12(16)14(11)20-7-9-5-10(18)1-2-13(9)19/h1-5H,6-7H2
InChIKeyXGCZKSPNIJYLLC-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

1,3-dibromo-2-[(5-bromo-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745416
2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-dimethylbenzene
CID 103047032
1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745489
1-bromo-5-(bromomethyl)-2-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 103047056
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074
2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 114850377
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
1,3-dibromo-5-(chloromethyl)-2-[(5-fluoro-2-methylphenyl)methoxy]benzene
CID 107745450
2-[3,5-dibromo-4-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 107739499
1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
CID 107745761
1-[3,5-dibromo-4-[(2,5-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741643
4-[[2,6-dibromo-4-(chloromethyl)phenoxy]methyl]phenol
CID 107745437

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene?
The IUPAC name of 1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene (CID 107745268) is 1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene?
The canonical SMILES for 1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene is Fc1ccc(Cl)cc1COc1c(Br)cc(CCl)cc1Br.
What is the InChIKey of 1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene?
The InChIKey is XGCZKSPNIJYLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2FO/c15-11-3-8(6-17)4-12(16)14(11)20-7-9-5-10(18)1-2-13(9)19/h1-5H,6-7H2.
What are the key properties of 1,3-dibromo-2-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene?
1,3-dibromo-2-[(5-chloro-2-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-[(5-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)benzene is sourced from PubChem (CID 107745268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).