2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene

C7H2Br2F4O — CID 118835990

IUPAC2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene
SMILESFc1cc(F)c(OC(F)F)c(Br)c1Br
InChIInChI=1S/C7H2Br2F4O/c8-4-2(10)1-3(11)6(5(4)9)14-7(12)13/h1,7H
InChIKeyJOQLPZXHDKBSBH-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.09
Rot. Bonds2

About 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene

2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene (PubChem CID 118835990) has the molecular formula C7H2Br2F4O and a molecular weight of 337.89 g/mol. Its IUPAC name is 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene.

Molecular Properties

Compound Name2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene
PubChem CID118835990
Molecular FormulaC7H2Br2F4O
Molecular Weight337.89 g/mol
Exact Mass335.84
IUPAC Name2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene
SMILESFc1cc(F)c(OC(F)F)c(Br)c1Br
InChIInChI=1S/C7H2Br2F4O/c8-4-2(10)1-3(11)6(5(4)9)14-7(12)13/h1,7H
InChIKeyJOQLPZXHDKBSBH-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene?
The IUPAC name of 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene (CID 118835990) is 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene.
What is the SMILES notation for 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene?
The canonical SMILES for 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene is Fc1cc(F)c(OC(F)F)c(Br)c1Br.
What is the InChIKey of 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene?
The InChIKey is JOQLPZXHDKBSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2F4O/c8-4-2(10)1-3(11)6(5(4)9)14-7(12)13/h1,7H.
What are the key properties of 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene?
2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene has a molecular weight of 337.89 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-(difluoromethoxy)-1,5-difluorobenzene is sourced from PubChem (CID 118835990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).