1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene

C13H8BrCl2FO — CID 107087872

IUPAC1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
SMILESFc1ccc(Oc2cccc(Cl)c2CBr)c(Cl)c1
InChIInChI=1S/C13H8BrCl2FO/c14-7-9-10(15)2-1-3-12(9)18-13-5-4-8(17)6-11(13)16/h1-6H,7H2
InChIKeyNUBJMTMFHOOZLH-UHFFFAOYSA-N
MW350.01 g/mol
LogP5.82
Rot. Bonds3

About 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene

1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene (PubChem CID 107087872) has the molecular formula C13H8BrCl2FO and a molecular weight of 350.01 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
PubChem CID107087872
Molecular FormulaC13H8BrCl2FO
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
SMILESFc1ccc(Oc2cccc(Cl)c2CBr)c(Cl)c1
InChIInChI=1S/C13H8BrCl2FO/c14-7-9-10(15)2-1-3-12(9)18-13-5-4-8(17)6-11(13)16/h1-6H,7H2
InChIKeyNUBJMTMFHOOZLH-UHFFFAOYSA-N
XLogP5.82
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 ≤ 55.82
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
1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
CID 114068008
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene
CID 107088464
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
1-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
1-[2-(bromomethyl)-3-chlorophenoxy]-2-tert-butyl-4-methylbenzene
CID 107086562
2-chloro-4-fluoro-1-(2-prop-2-ynoxyphenoxy)benzene
CID 173273486
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
1-(bromomethyl)-4-(2-chloro-4-fluorophenoxy)-2-methylbenzene
CID 107087869
1-[2-(bromomethyl)-3-chlorophenoxy]-4,5-dichloro-2-nitrobenzene
CID 107500351

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene?
The IUPAC name of 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene (CID 107087872) is 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene is Fc1ccc(Oc2cccc(Cl)c2CBr)c(Cl)c1.
What is the InChIKey of 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene?
The InChIKey is NUBJMTMFHOOZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FO/c14-7-9-10(15)2-1-3-12(9)18-13-5-4-8(17)6-11(13)16/h1-6H,7H2.
What are the key properties of 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene?
1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene has a molecular weight of 350.01 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene is sourced from PubChem (CID 107087872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).