1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene

C13H8BrCl2FO — CID 28946983

IUPAC1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
SMILESFc1ccc(Oc2cccc(Cl)c2CCl)c(Br)c1
InChIInChI=1S/C13H8BrCl2FO/c14-10-6-8(17)4-5-13(10)18-12-3-1-2-11(16)9(12)7-15/h1-6H,7H2
InChIKeyWUJLRSORTRKSMO-UHFFFAOYSA-N
MW350.01 g/mol
LogP5.77
Rot. Bonds3

About 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene

1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene (PubChem CID 28946983) has the molecular formula C13H8BrCl2FO and a molecular weight of 350.01 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
PubChem CID28946983
Molecular FormulaC13H8BrCl2FO
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
SMILESFc1ccc(Oc2cccc(Cl)c2CCl)c(Br)c1
InChIInChI=1S/C13H8BrCl2FO/c14-10-6-8(17)4-5-13(10)18-12-3-1-2-11(16)9(12)7-15/h1-6H,7H2
InChIKeyWUJLRSORTRKSMO-UHFFFAOYSA-N
XLogP5.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.01
LogP ≤ 55.77
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-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114062604
1-chloro-2-(chloromethyl)-3-(4-fluoro-2-nitrophenoxy)benzene
CID 63568398
2-[(2-bromo-4-fluorophenoxy)methyl]-3-chloroaniline
CID 63747303
1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
CID 107087872
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
CID 64853464
2-(2-bromo-4-fluorophenoxy)-6-chloropyridine
CID 60725991
2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene
CID 114062638
2-bromo-5-[3-chloro-2-(chloromethyl)phenoxy]-1,3-dimethylbenzene
CID 107725024
1-chloro-2-(chloromethyl)-3-(2-fluoro-4-nitrophenoxy)benzene
CID 63566971

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene?
The IUPAC name of 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene (CID 28946983) is 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene.
What is the SMILES notation for 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene?
The canonical SMILES for 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene is Fc1ccc(Oc2cccc(Cl)c2CCl)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene?
The InChIKey is WUJLRSORTRKSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FO/c14-10-6-8(17)4-5-13(10)18-12-3-1-2-11(16)9(12)7-15/h1-6H,7H2.
What are the key properties of 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene?
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene has a molecular weight of 350.01 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene is sourced from PubChem (CID 28946983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).