4-bromo-1-cyclopentyl-2-fluorobenzene

C11H12BrF — CID 122471293

IUPAC4-bromo-1-cyclopentyl-2-fluorobenzene
SMILESFc1cc(Br)ccc1C1CCCC1
InChIInChI=1S/C11H12BrF/c12-9-5-6-10(11(13)7-9)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyLFKDFZIFOXOLJE-UHFFFAOYSA-N
MW243.12 g/mol
LogP4.25
Rot. Bonds1

About 4-bromo-1-cyclopentyl-2-fluorobenzene

4-bromo-1-cyclopentyl-2-fluorobenzene (PubChem CID 122471293) has the molecular formula C11H12BrF and a molecular weight of 243.12 g/mol. Its IUPAC name is 4-bromo-1-cyclopentyl-2-fluorobenzene.

Molecular Properties

Compound Name4-bromo-1-cyclopentyl-2-fluorobenzene
PubChem CID122471293
Molecular FormulaC11H12BrF
Molecular Weight243.12 g/mol
Exact Mass242.01
IUPAC Name4-bromo-1-cyclopentyl-2-fluorobenzene
SMILESFc1cc(Br)ccc1C1CCCC1
InChIInChI=1S/C11H12BrF/c12-9-5-6-10(11(13)7-9)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyLFKDFZIFOXOLJE-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopentyl-2-fluorobenzene?
The IUPAC name of 4-bromo-1-cyclopentyl-2-fluorobenzene (CID 122471293) is 4-bromo-1-cyclopentyl-2-fluorobenzene.
What is the SMILES notation for 4-bromo-1-cyclopentyl-2-fluorobenzene?
The canonical SMILES for 4-bromo-1-cyclopentyl-2-fluorobenzene is Fc1cc(Br)ccc1C1CCCC1.
What is the InChIKey of 4-bromo-1-cyclopentyl-2-fluorobenzene?
The InChIKey is LFKDFZIFOXOLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF/c12-9-5-6-10(11(13)7-9)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of 4-bromo-1-cyclopentyl-2-fluorobenzene?
4-bromo-1-cyclopentyl-2-fluorobenzene has a molecular weight of 243.12 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopentyl-2-fluorobenzene is sourced from PubChem (CID 122471293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).