2-bromo-1-(4-bromopentyl)-4-fluorobenzene

C11H13Br2F — CID 64508019

IUPAC2-bromo-1-(4-bromopentyl)-4-fluorobenzene
SMILESCC(Br)CCCc1ccc(F)cc1Br
InChIInChI=1S/C11H13Br2F/c1-8(12)3-2-4-9-5-6-10(14)7-11(9)13/h5-8H,2-4H2,1H3
InChIKeyQIJONJQJXQOYCF-UHFFFAOYSA-N
MW324.03 g/mol
LogP4.69
Rot. Bonds4

About 2-bromo-1-(4-bromopentyl)-4-fluorobenzene

2-bromo-1-(4-bromopentyl)-4-fluorobenzene (PubChem CID 64508019) has the molecular formula C11H13Br2F and a molecular weight of 324.03 g/mol. Its IUPAC name is 2-bromo-1-(4-bromopentyl)-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-(4-bromopentyl)-4-fluorobenzene
PubChem CID64508019
Molecular FormulaC11H13Br2F
Molecular Weight324.03 g/mol
Exact Mass321.94
IUPAC Name2-bromo-1-(4-bromopentyl)-4-fluorobenzene
SMILESCC(Br)CCCc1ccc(F)cc1Br
InChIInChI=1S/C11H13Br2F/c1-8(12)3-2-4-9-5-6-10(14)7-11(9)13/h5-8H,2-4H2,1H3
InChIKeyQIJONJQJXQOYCF-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.03
LogP ≤ 54.69
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-bromo-1-(3-bromopropyl)-4-fluorobenzene
CID 62604582
2-bromo-1-(3-bromo-4-methoxybutyl)-4-fluorobenzene
CID 62318931
4-(2-bromo-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 64501827
1-(2-bromo-4-fluorophenyl)hexan-3-amine
CID 43370453
4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665424
N-[3-(2-bromo-4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 62528631
1-(4-bromo-5-methylhexyl)-2-chloro-4-fluorobenzene
CID 64506305
2-(4-bromo-5-methylhexyl)-1,4-difluorobenzene
CID 64509441
2-(2-bromo-4-fluorophenyl)ethyl-triphenylphosphanium
CID 118307107
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
1-(2-bromo-4-fluorophenyl)-N-ethylhexan-3-amine
CID 60996816
5-(2,4-difluorophenyl)pentan-2-ol
CID 64516740

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-bromopentyl)-4-fluorobenzene?
The IUPAC name of 2-bromo-1-(4-bromopentyl)-4-fluorobenzene (CID 64508019) is 2-bromo-1-(4-bromopentyl)-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-(4-bromopentyl)-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-(4-bromopentyl)-4-fluorobenzene is CC(Br)CCCc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-1-(4-bromopentyl)-4-fluorobenzene?
The InChIKey is QIJONJQJXQOYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2F/c1-8(12)3-2-4-9-5-6-10(14)7-11(9)13/h5-8H,2-4H2,1H3.
What are the key properties of 2-bromo-1-(4-bromopentyl)-4-fluorobenzene?
2-bromo-1-(4-bromopentyl)-4-fluorobenzene has a molecular weight of 324.03 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-bromopentyl)-4-fluorobenzene is sourced from PubChem (CID 64508019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).