1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene

C10H11Br2F — CID 79452753

IUPAC1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene
SMILESFc1ccc(CC(CBr)CBr)cc1
InChIInChI=1S/C10H11Br2F/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-4,9H,5-7H2
InChIKeyHFCXGBWKOVTZFB-UHFFFAOYSA-N
MW310.00 g/mol
LogP3.77
Rot. Bonds4

About 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene

1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene (PubChem CID 79452753) has the molecular formula C10H11Br2F and a molecular weight of 310.00 g/mol. Its IUPAC name is 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene
PubChem CID79452753
Molecular FormulaC10H11Br2F
Molecular Weight310.00 g/mol
Exact Mass307.92
IUPAC Name1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene
SMILESFc1ccc(CC(CBr)CBr)cc1
InChIInChI=1S/C10H11Br2F/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-4,9H,5-7H2
InChIKeyHFCXGBWKOVTZFB-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.00
LogP ≤ 53.77
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

[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-trimethylsilane
CID 106324188
1-bromo-3-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-5-fluorobenzene
CID 79711815
2-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1-chloro-4-fluorobenzene
CID 102621383
1-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-2-chloro-4-fluorobenzene
CID 66042283
1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
1-[2-(bromomethyl)-4-propoxybutyl]-4-fluorobenzene
CID 106459629
1-[1-bromo-3-(4-fluorophenyl)propan-2-yl]-4-fluorobenzene
CID 79435525
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-thiazole
CID 112645332
1-[2-(bromomethyl)-3-methylbutyl]-4-fluorobenzene
CID 66041241
1-[2-(bromomethyl)-4-tert-butylsulfonylbutyl]-4-fluorobenzene
CID 106734615
1-[2-(bromomethyl)-3-(3,3-difluorocyclopentyl)propyl]-4-fluorobenzene
CID 114225438
5-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1,3-dimethylpyrazole
CID 66041885

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene?
The IUPAC name of 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene (CID 79452753) is 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene.
What is the SMILES notation for 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene?
The canonical SMILES for 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene is Fc1ccc(CC(CBr)CBr)cc1.
What is the InChIKey of 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene?
The InChIKey is HFCXGBWKOVTZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2F/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-4,9H,5-7H2.
What are the key properties of 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene?
1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene has a molecular weight of 310.00 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(bromomethyl)propyl]-4-fluorobenzene is sourced from PubChem (CID 79452753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).