1-(1,3-dibromopropan-2-yl)-2-fluorobenzene

C9H9Br2F — CID 79456002

IUPAC1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
SMILESFc1ccccc1C(CBr)CBr
InChIInChI=1S/C9H9Br2F/c10-5-7(6-11)8-3-1-2-4-9(8)12/h1-4,7H,5-6H2
InChIKeyBVDKGHXPOZPUAU-UHFFFAOYSA-N
MW295.98 g/mol
LogP3.70
Rot. Bonds3

About 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene

1-(1,3-dibromopropan-2-yl)-2-fluorobenzene (PubChem CID 79456002) has the molecular formula C9H9Br2F and a molecular weight of 295.98 g/mol. Its IUPAC name is 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
PubChem CID79456002
Molecular FormulaC9H9Br2F
Molecular Weight295.98 g/mol
Exact Mass293.91
IUPAC Name1-(1,3-dibromopropan-2-yl)-2-fluorobenzene
SMILESFc1ccccc1C(CBr)CBr
InChIInChI=1S/C9H9Br2F/c10-5-7(6-11)8-3-1-2-4-9(8)12/h1-4,7H,5-6H2
InChIKeyBVDKGHXPOZPUAU-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.98
LogP ≤ 53.70
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

1-[1-bromo-3-(2-fluorophenyl)propan-2-yl]-2-fluorobenzene
CID 79454615
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
1-[3-bromo-2-(2-fluorophenyl)propyl]-2,4-difluorobenzene
CID 79454466
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
4-[3-bromo-2-(2-fluorophenyl)propyl]oxane
CID 79455156
1-[1-bromo-4-(2-methylpropoxy)butan-2-yl]-2-fluorobenzene
CID 106459688
4-bromo-2-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454073
2-[3-bromo-2-(2-fluorophenyl)propyl]-5-ethylthiophene
CID 79455155
3-[3-bromo-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871989
5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79454542
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene?
The IUPAC name of 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene (CID 79456002) is 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene.
What is the SMILES notation for 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene?
The canonical SMILES for 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene is Fc1ccccc1C(CBr)CBr.
What is the InChIKey of 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene?
The InChIKey is BVDKGHXPOZPUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2F/c10-5-7(6-11)8-3-1-2-4-9(8)12/h1-4,7H,5-6H2.
What are the key properties of 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene?
1-(1,3-dibromopropan-2-yl)-2-fluorobenzene has a molecular weight of 295.98 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dibromopropan-2-yl)-2-fluorobenzene is sourced from PubChem (CID 79456002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).