1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene

C14H17Br2F — CID 112570523

IUPAC1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
SMILESFc1cc(Br)cc(CC(CBr)C2CCCC2)c1
InChIInChI=1S/C14H17Br2F/c15-9-12(11-3-1-2-4-11)5-10-6-13(16)8-14(17)7-10/h6-8,11-12H,1-5,9H2
InChIKeyRNBOEBVLLDARMT-UHFFFAOYSA-N
MW364.10 g/mol
LogP5.33
Rot. Bonds4

About 1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene

1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene (PubChem CID 112570523) has the molecular formula C14H17Br2F and a molecular weight of 364.10 g/mol. Its IUPAC name is 1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
PubChem CID112570523
Molecular FormulaC14H17Br2F
Molecular Weight364.10 g/mol
Exact Mass361.97
IUPAC Name1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene
SMILESFc1cc(Br)cc(CC(CBr)C2CCCC2)c1
InChIInChI=1S/C14H17Br2F/c15-9-12(11-3-1-2-4-11)5-10-6-13(16)8-14(17)7-10/h6-8,11-12H,1-5,9H2
InChIKeyRNBOEBVLLDARMT-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.10
LogP ≤ 55.33
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-(3-bromo-5-fluorophenyl)-3-cyclopropylbutan-2-ol
CID 115822808
[1-(3-bromo-5-fluorophenyl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105324755
N-[(3-bromo-5-fluorophenyl)methyl]-1-cyclohexylethanamine
CID 79710185
1-(3-bromo-5-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 105015690
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79700039
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-5-fluorophenyl)-N-methylethanamine
CID 105015427
1-bromo-4-(3-bromo-2-cyclopropylpropyl)benzene
CID 104819632
3-(3-bromo-5-fluorophenyl)-2-(1,1-dioxothiolan-3-yl)propan-1-ol
CID 79711236
N-[2-cyclopentyl-3-(3,5-difluorophenyl)propyl]-2-methylpropan-1-amine
CID 105408541
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
[1-bromo-3-(4-methylphenyl)propan-2-yl]cycloheptane
CID 82946366
1-bromo-3-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-5-fluorobenzene
CID 79711815

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene?
The IUPAC name of 1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene (CID 112570523) is 1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene is Fc1cc(Br)cc(CC(CBr)C2CCCC2)c1.
What is the InChIKey of 1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene?
The InChIKey is RNBOEBVLLDARMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2F/c15-9-12(11-3-1-2-4-11)5-10-6-13(16)8-14(17)7-10/h6-8,11-12H,1-5,9H2.
What are the key properties of 1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene?
1-bromo-3-(3-bromo-2-cyclopentylpropyl)-5-fluorobenzene has a molecular weight of 364.10 g/mol, XLogP of 5.33, 4 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-cyclopentylpropyl)-5-fluorobenzene is sourced from PubChem (CID 112570523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).