1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene

C7H3BrClF3O — CID 75365418

IUPAC1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
SMILESFc1cc(Cl)c(OC(F)F)cc1Br
InChIInChI=1S/C7H3BrClF3O/c8-3-1-6(13-7(11)12)4(9)2-5(3)10/h1-2,7H
InChIKeyKMNGIVBODSVBJW-UHFFFAOYSA-N
MW275.45 g/mol
LogP3.84
Rot. Bonds2

About 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene

1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene (PubChem CID 75365418) has the molecular formula C7H3BrClF3O and a molecular weight of 275.45 g/mol. Its IUPAC name is 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
PubChem CID75365418
Molecular FormulaC7H3BrClF3O
Molecular Weight275.45 g/mol
Exact Mass273.90
IUPAC Name1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
SMILESFc1cc(Cl)c(OC(F)F)cc1Br
InChIInChI=1S/C7H3BrClF3O/c8-3-1-6(13-7(11)12)4(9)2-5(3)10/h1-2,7H
InChIKeyKMNGIVBODSVBJW-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.45
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene?
The IUPAC name of 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene (CID 75365418) is 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene is Fc1cc(Cl)c(OC(F)F)cc1Br.
What is the InChIKey of 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene?
The InChIKey is KMNGIVBODSVBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF3O/c8-3-1-6(13-7(11)12)4(9)2-5(3)10/h1-2,7H.
What are the key properties of 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene?
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene has a molecular weight of 275.45 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene is sourced from PubChem (CID 75365418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).