1,4-difluorobenzene bromide

C6H4BrF2- — CID 21301175

IUPAC1,4-difluorobenzene bromide
SMILESFc1ccc(F)cc1.[Br-]
InChIInChI=1S/C6H4F2.BrH/c7-5-1-2-6(8)4-3-5;/h1-4H;1H/p-1
InChIKeyDIZBWLZOUAUNPH-UHFFFAOYSA-M
MW194.00 g/mol
LogP-1.03
Rot. Bonds

About 1,4-difluorobenzene bromide

1,4-difluorobenzene bromide (PubChem CID 21301175) has the molecular formula C6H4BrF2- and a molecular weight of 194.00 g/mol. Its IUPAC name is 1,4-difluorobenzene bromide.

Molecular Properties

Compound Name1,4-difluorobenzene bromide
PubChem CID21301175
Molecular FormulaC6H4BrF2-
Molecular Weight194.00 g/mol
Exact Mass192.95
IUPAC Name1,4-difluorobenzene bromide
SMILESFc1ccc(F)cc1.[Br-]
InChIInChI=1S/C6H4F2.BrH/c7-5-1-2-6(8)4-3-5;/h1-4H;1H/p-1
InChIKeyDIZBWLZOUAUNPH-UHFFFAOYSA-M
XLogP-1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.00
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluorobenzene bromide?
The IUPAC name of 1,4-difluorobenzene bromide (CID 21301175) is 1,4-difluorobenzene bromide.
What is the SMILES notation for 1,4-difluorobenzene bromide?
The canonical SMILES for 1,4-difluorobenzene bromide is Fc1ccc(F)cc1.[Br-].
What is the InChIKey of 1,4-difluorobenzene bromide?
The InChIKey is DIZBWLZOUAUNPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F2.BrH/c7-5-1-2-6(8)4-3-5;/h1-4H;1H/p-1.
What are the key properties of 1,4-difluorobenzene bromide?
1,4-difluorobenzene bromide has a molecular weight of 194.00 g/mol, XLogP of -1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobenzene bromide is sourced from PubChem (CID 21301175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).