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

C14H10Br2ClFO — CID 28981493

IUPAC2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
SMILESFc1ccc(COc2ccc(Br)cc2CCl)c(Br)c1
InChIInChI=1S/C14H10Br2ClFO/c15-11-2-4-14(10(5-11)7-17)19-8-9-1-3-12(18)6-13(9)16/h1-6H,7-8H2
InChIKeyOBLCNRXHHMCSIG-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.67
Rot. Bonds4

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

2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene (PubChem CID 28981493) has the molecular formula C14H10Br2ClFO and a molecular weight of 408.49 g/mol. Its IUPAC name is 2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
PubChem CID28981493
Molecular FormulaC14H10Br2ClFO
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
SMILESFc1ccc(COc2ccc(Br)cc2CCl)c(Br)c1
InChIInChI=1S/C14H10Br2ClFO/c15-11-2-4-14(10(5-11)7-17)19-8-9-1-3-12(18)6-13(9)16/h1-6H,7-8H2
InChIKeyOBLCNRXHHMCSIG-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.67
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-1-[(4-bromo-2-propan-2-ylphenoxy)methyl]-4-fluorobenzene
CID 115402119
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-3,5-difluorobenzene
CID 105404283
2-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzonitrile
CID 107906213
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanol
CID 28825760
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 60879629
5-bromo-2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 83136108
2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 62104790
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
1-[4-bromo-2-(chloromethyl)phenoxy]-2,4-difluorobenzene
CID 114061643
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene (CID 28981493) is 2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene is Fc1ccc(COc2ccc(Br)cc2CCl)c(Br)c1.
What is the InChIKey of 2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene?
The InChIKey is OBLCNRXHHMCSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO/c15-11-2-4-14(10(5-11)7-17)19-8-9-1-3-12(18)6-13(9)16/h1-6H,7-8H2.
What are the key properties of 2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene?
2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene has a molecular weight of 408.49 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene is sourced from PubChem (CID 28981493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).