1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene

C11H12Br2ClF — CID 105400041

IUPAC1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene
SMILESCCCCC(Br)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H12Br2ClF/c1-2-3-4-8(12)7-5-10(14)9(13)6-11(7)15/h5-6,8H,2-4H2,1H3
InChIKeyNLWPGXPTNVSWRD-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.87
Rot. Bonds4

About 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene

1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene (PubChem CID 105400041) has the molecular formula C11H12Br2ClF and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene
PubChem CID105400041
Molecular FormulaC11H12Br2ClF
Molecular Weight358.48 g/mol
Exact Mass355.90
IUPAC Name1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene
SMILESCCCCC(Br)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H12Br2ClF/c1-2-3-4-8(12)7-5-10(14)9(13)6-11(7)15/h5-6,8H,2-4H2,1H3
InChIKeyNLWPGXPTNVSWRD-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylheptan-1-amine
CID 105398949
1-(4-bromo-5-chloro-2-fluorophenyl)-N-propylheptan-1-amine
CID 105399125
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methylpentan-1-ol
CID 105399458
1-(4-bromo-5-chloro-2-fluorophenyl)-N-ethylbutan-1-amine
CID 105398979
1-bromo-4-[bromo-(4-butylcyclohexyl)methyl]-2-chloro-5-fluorobenzene
CID 105400031
1-(1-bromohexyl)-2-fluoro-4,5-dimethoxybenzene
CID 63447638
1-(1-bromooctyl)-2,4-difluoro-5-methylbenzene
CID 79731208
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene
CID 103166063
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105399147
1-(4-bromo-5-chloro-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 105399130
1-bromo-4-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-5-fluorobenzene
CID 105399972
1-(4-bromo-5-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105399185

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene?
The IUPAC name of 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene (CID 105400041) is 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene.
What is the SMILES notation for 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene?
The canonical SMILES for 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene is CCCCC(Br)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene?
The InChIKey is NLWPGXPTNVSWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClF/c1-2-3-4-8(12)7-5-10(14)9(13)6-11(7)15/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene?
1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene has a molecular weight of 358.48 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-bromopentyl)-2-chloro-5-fluorobenzene is sourced from PubChem (CID 105400041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).