1-bromo-3-(3-bromo-2-fluoropropyl)benzene

C9H9Br2F — CID 122239684

IUPAC1-bromo-3-(3-bromo-2-fluoropropyl)benzene
SMILESFC(CBr)Cc1cccc(Br)c1
InChIInChI=1S/C9H9Br2F/c10-6-9(12)5-7-2-1-3-8(11)4-7/h1-4,9H,5-6H2
InChIKeyDJMVXJCQPATHNH-UHFFFAOYSA-N
MW295.98 g/mol
LogP3.72
Rot. Bonds3

About 1-bromo-3-(3-bromo-2-fluoropropyl)benzene

1-bromo-3-(3-bromo-2-fluoropropyl)benzene (PubChem CID 122239684) has the molecular formula C9H9Br2F and a molecular weight of 295.98 g/mol. Its IUPAC name is 1-bromo-3-(3-bromo-2-fluoropropyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(3-bromo-2-fluoropropyl)benzene
PubChem CID122239684
Molecular FormulaC9H9Br2F
Molecular Weight295.98 g/mol
Exact Mass293.91
IUPAC Name1-bromo-3-(3-bromo-2-fluoropropyl)benzene
SMILESFC(CBr)Cc1cccc(Br)c1
InChIInChI=1S/C9H9Br2F/c10-6-9(12)5-7-2-1-3-8(11)4-7/h1-4,9H,5-6H2
InChIKeyDJMVXJCQPATHNH-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
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-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
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CID 83142669
1-bromo-3-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]benzene
CID 66041720
3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759748
2-bromo-3-(3-bromophenyl)propanamide
CID 104512986
2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1,4-difluorobenzene
CID 66042131
2-bromo-1-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-4-fluorobenzene
CID 66041927
1-bromo-3-(3-fluoro-4-iodobutyl)benzene
CID 57435882
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
1-bromo-3-ethylbenzene;ethane
CID 143778556
2-[(3-bromophenyl)methyl]-4,4-difluorobutanoic acid
CID 79419133

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromo-2-fluoropropyl)benzene?
The IUPAC name of 1-bromo-3-(3-bromo-2-fluoropropyl)benzene (CID 122239684) is 1-bromo-3-(3-bromo-2-fluoropropyl)benzene.
What is the SMILES notation for 1-bromo-3-(3-bromo-2-fluoropropyl)benzene?
The canonical SMILES for 1-bromo-3-(3-bromo-2-fluoropropyl)benzene is FC(CBr)Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(3-bromo-2-fluoropropyl)benzene?
The InChIKey is DJMVXJCQPATHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2F/c10-6-9(12)5-7-2-1-3-8(11)4-7/h1-4,9H,5-6H2.
What are the key properties of 1-bromo-3-(3-bromo-2-fluoropropyl)benzene?
1-bromo-3-(3-bromo-2-fluoropropyl)benzene has a molecular weight of 295.98 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-bromo-2-fluoropropyl)benzene is sourced from PubChem (CID 122239684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).