1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene

C7H2BrClF4O — CID 71669494

IUPAC1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene
SMILESFc1c(Br)ccc(OC(F)(F)Cl)c1F
InChIInChI=1S/C7H2BrClF4O/c8-3-1-2-4(6(11)5(3)10)14-7(9,12)13/h1-2H
InChIKeyUCVVKIRKVHNFTD-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.90
Rot. Bonds2

About 1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene

1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene (PubChem CID 71669494) has the molecular formula C7H2BrClF4O and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene
PubChem CID71669494
Molecular FormulaC7H2BrClF4O
Molecular Weight293.44 g/mol
Exact Mass291.89
IUPAC Name1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene
SMILESFc1c(Br)ccc(OC(F)(F)Cl)c1F
InChIInChI=1S/C7H2BrClF4O/c8-3-1-2-4(6(11)5(3)10)14-7(9,12)13/h1-2H
InChIKeyUCVVKIRKVHNFTD-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene?
The IUPAC name of 1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene (CID 71669494) is 1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene is Fc1c(Br)ccc(OC(F)(F)Cl)c1F.
What is the InChIKey of 1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene?
The InChIKey is UCVVKIRKVHNFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClF4O/c8-3-1-2-4(6(11)5(3)10)14-7(9,12)13/h1-2H.
What are the key properties of 1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene?
1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene has a molecular weight of 293.44 g/mol, XLogP of 3.90, 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(difluoro)methoxy]-2,3-difluorobenzene is sourced from PubChem (CID 71669494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).