2,5-dibromo-1-fluoro-3-methylbenzene

C7H5Br2F — CID 56604211

IUPAC2,5-dibromo-1-fluoro-3-methylbenzene
SMILESCc1cc(Br)cc(F)c1Br
InChIInChI=1S/C7H5Br2F/c1-4-2-5(8)3-6(10)7(4)9/h2-3H,1H3
InChIKeyOFUAPBKAKZQRIS-UHFFFAOYSA-N
MW267.92 g/mol
LogP3.66
Rot. Bonds

About 2,5-dibromo-1-fluoro-3-methylbenzene

2,5-dibromo-1-fluoro-3-methylbenzene (PubChem CID 56604211) has the molecular formula C7H5Br2F and a molecular weight of 267.92 g/mol. Its IUPAC name is 2,5-dibromo-1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name2,5-dibromo-1-fluoro-3-methylbenzene
PubChem CID56604211
Molecular FormulaC7H5Br2F
Molecular Weight267.92 g/mol
Exact Mass265.87
IUPAC Name2,5-dibromo-1-fluoro-3-methylbenzene
SMILESCc1cc(Br)cc(F)c1Br
InChIInChI=1S/C7H5Br2F/c1-4-2-5(8)3-6(10)7(4)9/h2-3H,1H3
InChIKeyOFUAPBKAKZQRIS-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.92
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-fluoro-2,3-dimethylbenzene;ethane
CID 171643506
2-bromo-1-fluoro-3,5-dimethylbenzene;ethane
CID 142302945
1-(4-bromo-3-fluoro-5-methylphenyl)ethanamine
CID 129130079
4-bromo-1,2-difluorobenzene;5-bromo-1,2-difluoro-3-methylbenzene
CID 160943095
5-bromo-1,3-difluoro-2-methylbenzene;propane
CID 142352464
2,5-dibromo-3-methylphenol
CID 84807682
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
4-bromo-1-fluoro-2-methylbenzene;4-bromo-2-fluoro-1-methylbenzene
CID 160825147
2-(4-bromo-3-fluoro-5-methylphenyl)acetonitrile
CID 171007705
(2,6-dibromo-3-fluoro-5-methylphenyl)-oxidoazanium
CID 141022651
2-bromo-1-chloro-5-fluoro-3-methylbenzene
CID 50998614
5-bromo-7-fluoro-3-methyl-1-benzofuran
CID 70977139

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-fluoro-3-methylbenzene?
The IUPAC name of 2,5-dibromo-1-fluoro-3-methylbenzene (CID 56604211) is 2,5-dibromo-1-fluoro-3-methylbenzene.
What is the SMILES notation for 2,5-dibromo-1-fluoro-3-methylbenzene?
The canonical SMILES for 2,5-dibromo-1-fluoro-3-methylbenzene is Cc1cc(Br)cc(F)c1Br.
What is the InChIKey of 2,5-dibromo-1-fluoro-3-methylbenzene?
The InChIKey is OFUAPBKAKZQRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F/c1-4-2-5(8)3-6(10)7(4)9/h2-3H,1H3.
What are the key properties of 2,5-dibromo-1-fluoro-3-methylbenzene?
2,5-dibromo-1-fluoro-3-methylbenzene has a molecular weight of 267.92 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-fluoro-3-methylbenzene is sourced from PubChem (CID 56604211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).