2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene

C12H14BrF — CID 62800460

IUPAC2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(C2CCCC2Br)c1
InChIInChI=1S/C12H14BrF/c1-8-5-6-12(14)10(7-8)9-3-2-4-11(9)13/h5-7,9,11H,2-4H2,1H3
InChIKeyBKORXWJZOBXKCA-UHFFFAOYSA-N
MW257.15 g/mol
LogP4.17
Rot. Bonds1

About 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene

2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene (PubChem CID 62800460) has the molecular formula C12H14BrF and a molecular weight of 257.15 g/mol. Its IUPAC name is 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene
PubChem CID62800460
Molecular FormulaC12H14BrF
Molecular Weight257.15 g/mol
Exact Mass256.03
IUPAC Name2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(C2CCCC2Br)c1
InChIInChI=1S/C12H14BrF/c1-8-5-6-12(14)10(7-8)9-3-2-4-11(9)13/h5-7,9,11H,2-4H2,1H3
InChIKeyBKORXWJZOBXKCA-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene?
The IUPAC name of 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene (CID 62800460) is 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene is Cc1ccc(F)c(C2CCCC2Br)c1.
What is the InChIKey of 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene?
The InChIKey is BKORXWJZOBXKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF/c1-8-5-6-12(14)10(7-8)9-3-2-4-11(9)13/h5-7,9,11H,2-4H2,1H3.
What are the key properties of 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene?
2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene has a molecular weight of 257.15 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocyclopentyl)-1-fluoro-4-methylbenzene is sourced from PubChem (CID 62800460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).