1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene

C7BrClF6O — CID 75365424

IUPAC1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(OC(F)(F)Cl)c(F)c(F)c1Br
InChIInChI=1S/C7BrClF6O/c8-1-2(10)4(12)6(5(13)3(1)11)16-7(9,14)15
InChIKeyKMMVDKNLVSFSBB-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.17
Rot. Bonds2

About 1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene

1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene (PubChem CID 75365424) has the molecular formula C7BrClF6O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene
PubChem CID75365424
Molecular FormulaC7BrClF6O
Molecular Weight329.42 g/mol
Exact Mass327.87
IUPAC Name1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene
SMILESFc1c(F)c(OC(F)(F)Cl)c(F)c(F)c1Br
InChIInChI=1S/C7BrClF6O/c8-1-2(10)4(12)6(5(13)3(1)11)16-7(9,14)15
InChIKeyKMMVDKNLVSFSBB-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene?
The IUPAC name of 1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene (CID 75365424) is 1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene.
What is the SMILES notation for 1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene?
The canonical SMILES for 1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene is Fc1c(F)c(OC(F)(F)Cl)c(F)c(F)c1Br.
What is the InChIKey of 1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene?
The InChIKey is KMMVDKNLVSFSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7BrClF6O/c8-1-2(10)4(12)6(5(13)3(1)11)16-7(9,14)15.
What are the key properties of 1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene?
1-bromo-4-[chloro(difluoro)methoxy]-2,3,5,6-tetrafluorobenzene has a molecular weight of 329.42 g/mol, XLogP of 4.17, 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]-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 75365424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).