2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene

C9H9Br2F — CID 130140582

IUPAC2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene
SMILESCCc1c(F)ccc(CBr)c1Br
InChIInChI=1S/C9H9Br2F/c1-2-7-8(12)4-3-6(5-10)9(7)11/h3-4H,2,5H2,1H3
InChIKeyLQDVBNYYEASYLI-UHFFFAOYSA-N
MW295.98 g/mol
LogP4.05
Rot. Bonds2

About 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene

2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene (PubChem CID 130140582) has the molecular formula C9H9Br2F and a molecular weight of 295.98 g/mol. Its IUPAC name is 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene
PubChem CID130140582
Molecular FormulaC9H9Br2F
Molecular Weight295.98 g/mol
Exact Mass293.91
IUPAC Name2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene
SMILESCCc1c(F)ccc(CBr)c1Br
InChIInChI=1S/C9H9Br2F/c1-2-7-8(12)4-3-6(5-10)9(7)11/h3-4H,2,5H2,1H3
InChIKeyLQDVBNYYEASYLI-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.98
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
3-bromo-2-(bromomethyl)-1-fluoro-4-methylbenzene
CID 130056287
1-(bromomethyl)-4-fluoro-2,3-dimethylbenzene
CID 91117287
1-(bromomethyl)-4-ethyl-2-fluorobenzene
CID 91883092
6-bromo-2-ethyl-3-fluorophenol
CID 130713861
ethyl 2-[2-bromo-6-(bromomethyl)-3-fluorophenyl]acetate
CID 171004405
2,4-dibromo-1-ethyl-3,5-difluorobenzene
CID 118836031
2-bromo-1-(bromomethyl)-3-fluoro-4-iodobenzene
CID 98041507
3-bromo-2-ethenyl-1-ethyl-4-fluorobenzene
CID 167144100
2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
CID 118830363
2-bromo-3-(bromomethyl)-1-fluoro-4-methylbenzene
CID 131575794

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene?
The IUPAC name of 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene (CID 130140582) is 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene is CCc1c(F)ccc(CBr)c1Br.
What is the InChIKey of 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene?
The InChIKey is LQDVBNYYEASYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2F/c1-2-7-8(12)4-3-6(5-10)9(7)11/h3-4H,2,5H2,1H3.
What are the key properties of 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene?
2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene has a molecular weight of 295.98 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(bromomethyl)-3-ethyl-4-fluorobenzene is sourced from PubChem (CID 130140582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).