1,3-dibromo-2-[chloro(difluoro)methoxy]benzene

C7H3Br2ClF2O — CID 75365436

IUPAC1,3-dibromo-2-[chloro(difluoro)methoxy]benzene
SMILESFC(F)(Cl)Oc1c(Br)cccc1Br
InChIInChI=1S/C7H3Br2ClF2O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H
InChIKeyVPLSZDGWKWBQPX-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.38
Rot. Bonds2

About 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene

1,3-dibromo-2-[chloro(difluoro)methoxy]benzene (PubChem CID 75365436) has the molecular formula C7H3Br2ClF2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene.

Molecular Properties

Compound Name1,3-dibromo-2-[chloro(difluoro)methoxy]benzene
PubChem CID75365436
Molecular FormulaC7H3Br2ClF2O
Molecular Weight336.36 g/mol
Exact Mass333.82
IUPAC Name1,3-dibromo-2-[chloro(difluoro)methoxy]benzene
SMILESFC(F)(Cl)Oc1c(Br)cccc1Br
InChIInChI=1S/C7H3Br2ClF2O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H
InChIKeyVPLSZDGWKWBQPX-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.38
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-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene
CID 75365424
1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene
CID 71669494
1,3-dibromo-2-(trifluoromethyl)benzene
CID 56604724
1-bromo-3-(3-bromopropyl)-2-(trifluoromethoxy)benzene
CID 119022374
1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene
CID 167725245
1-bromo-2-(chloromethyl)-3-(trifluoromethoxy)benzene
CID 75537263
2-(2,6-dibromophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 47449431
1-[chloro(difluoro)methoxy]-2-fluorobenzene
CID 15681631
1,3-dichloro-2-[chloro(difluoro)methoxy]-4-methylbenzene
CID 23312569
1-bromo-3-(chloromethyl)-2-(2,2-difluoro-2-phenylethoxy)benzene
CID 116789802
2-(2-bromo-6-fluorophenoxy)-1,3-difluoro-5-(trifluoromethyl)benzene
CID 169337204
3-bromo-2-(3,3,3-trifluoropropoxy)aniline
CID 81499266

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene?
The IUPAC name of 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene (CID 75365436) is 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene.
What is the SMILES notation for 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene?
The canonical SMILES for 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene is FC(F)(Cl)Oc1c(Br)cccc1Br.
What is the InChIKey of 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene?
The InChIKey is VPLSZDGWKWBQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2ClF2O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H.
What are the key properties of 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene?
1,3-dibromo-2-[chloro(difluoro)methoxy]benzene has a molecular weight of 336.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-[chloro(difluoro)methoxy]benzene is sourced from PubChem (CID 75365436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).