1-bromo-4-fluorobenzene

C6H4BrF — CID 9993

IUPAC1-bromo-4-fluorobenzene
SMILESFc1ccc(Br)cc1
InChIInChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKeyAITNMTXHTIIIBB-UHFFFAOYSA-N
MW175.00 g/mol
LogP2.59
Rot. Bonds

About 1-bromo-4-fluorobenzene

1-bromo-4-fluorobenzene (PubChem CID 9993) has the molecular formula C6H4BrF and a molecular weight of 175.00 g/mol. Its IUPAC name is 1-bromo-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-fluorobenzene
PubChem CID9993
Molecular FormulaC6H4BrF
Molecular Weight175.00 g/mol
Exact Mass173.95
IUPAC Name1-bromo-4-fluorobenzene
SMILESFc1ccc(Br)cc1
InChIInChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKeyAITNMTXHTIIIBB-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.00
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 7961
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CID 7804
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CID 61259
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CID 79599
CID 79599
CID 12279
CID 12279
CID 7927
CID 7927
CID 14082
CID 14082
CID 67674
CID 67674
CID 11415
CID 11415
CID 11522
CID 11522
CID 11561
CID 11561

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluorobenzene?
The IUPAC name of 1-bromo-4-fluorobenzene (CID 9993) is 1-bromo-4-fluorobenzene.
What is the SMILES notation for 1-bromo-4-fluorobenzene?
The canonical SMILES for 1-bromo-4-fluorobenzene is Fc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-fluorobenzene?
The InChIKey is AITNMTXHTIIIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H.
What are the key properties of 1-bromo-4-fluorobenzene?
1-bromo-4-fluorobenzene has a molecular weight of 175.00 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluorobenzene is sourced from PubChem (CID 9993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).