1-bromo-3-fluoro-5-methylbenzene

C7H6BrF — CID 2773396

IUPAC1-bromo-3-fluoro-5-methylbenzene
SMILESCc1cc(F)cc(Br)c1
InChIInChI=1S/C7H6BrF/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChIKeyCTNFNUQREIIROB-UHFFFAOYSA-N
MW189.03 g/mol
LogP2.90
Rot. Bonds

About 1-bromo-3-fluoro-5-methylbenzene

1-bromo-3-fluoro-5-methylbenzene (PubChem CID 2773396) has the molecular formula C7H6BrF and a molecular weight of 189.03 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-methylbenzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-5-methylbenzene
PubChem CID2773396
Molecular FormulaC7H6BrF
Molecular Weight189.03 g/mol
Exact Mass187.96
IUPAC Name1-bromo-3-fluoro-5-methylbenzene
SMILESCc1cc(F)cc(Br)c1
InChIInChI=1S/C7H6BrF/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChIKeyCTNFNUQREIIROB-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.03
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-methylbenzene?
The IUPAC name of 1-bromo-3-fluoro-5-methylbenzene (CID 2773396) is 1-bromo-3-fluoro-5-methylbenzene.
What is the SMILES notation for 1-bromo-3-fluoro-5-methylbenzene?
The canonical SMILES for 1-bromo-3-fluoro-5-methylbenzene is Cc1cc(F)cc(Br)c1.
What is the InChIKey of 1-bromo-3-fluoro-5-methylbenzene?
The InChIKey is CTNFNUQREIIROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3.
What are the key properties of 1-bromo-3-fluoro-5-methylbenzene?
1-bromo-3-fluoro-5-methylbenzene has a molecular weight of 189.03 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-5-methylbenzene is sourced from PubChem (CID 2773396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).