2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene

C12H11BrClF — CID 65176426

IUPAC2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene
SMILESFc1ccc(CC2=CC(Cl)CC2)c(Br)c1
InChIInChI=1S/C12H11BrClF/c13-12-7-11(15)4-2-9(12)5-8-1-3-10(14)6-8/h2,4,6-7,10H,1,3,5H2
InChIKeyCQWYRRAADCFFNB-UHFFFAOYSA-N
MW289.57 g/mol
LogP4.46
Rot. Bonds2

About 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene

2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene (PubChem CID 65176426) has the molecular formula C12H11BrClF and a molecular weight of 289.57 g/mol. Its IUPAC name is 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene
PubChem CID65176426
Molecular FormulaC12H11BrClF
Molecular Weight289.57 g/mol
Exact Mass287.97
IUPAC Name2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene
SMILESFc1ccc(CC2=CC(Cl)CC2)c(Br)c1
InChIInChI=1S/C12H11BrClF/c13-12-7-11(15)4-2-9(12)5-8-1-3-10(14)6-8/h2,4,6-7,10H,1,3,5H2
InChIKeyCQWYRRAADCFFNB-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.57
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-bromo-4-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 83261455
3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine
CID 65174290
2-bromo-1-(cyclopropylmethyl)-4-fluorobenzene
CID 165123188
4-[(2-bromo-5-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 83261454
2-[(2-bromo-4-fluorophenyl)methyl]cyclohexan-1-amine
CID 61382402
2-chloro-1-[(3-chloro-5,5-dimethylcyclohexen-1-yl)methyl]-4-fluorobenzene
CID 65174260
1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407519
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
CID 62142376
N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-chlorocyclohexyl)methanamine
CID 65024730
1-(2-bromo-4-fluorophenyl)-3-cyclopentylpropan-2-amine
CID 115843237
cyclopropylmethyl 2-(2-bromo-4-fluorophenyl)acetate
CID 86801392

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene?
The IUPAC name of 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene (CID 65176426) is 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene?
The canonical SMILES for 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene is Fc1ccc(CC2=CC(Cl)CC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene?
The InChIKey is CQWYRRAADCFFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClF/c13-12-7-11(15)4-2-9(12)5-8-1-3-10(14)6-8/h2,4,6-7,10H,1,3,5H2.
What are the key properties of 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene?
2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene has a molecular weight of 289.57 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene is sourced from PubChem (CID 65176426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).