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

C12H14ClF — CID 62801942

IUPAC2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(C2CCCC2Cl)c1
InChIInChI=1S/C12H14ClF/c1-8-5-6-12(14)10(7-8)9-3-2-4-11(9)13/h5-7,9,11H,2-4H2,1H3
InChIKeyOIKLBJLPSHKMLC-UHFFFAOYSA-N
MW212.69 g/mol
LogP4.01
Rot. Bonds1

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

2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene (PubChem CID 62801942) has the molecular formula C12H14ClF and a molecular weight of 212.69 g/mol. Its IUPAC name is 2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene
PubChem CID62801942
Molecular FormulaC12H14ClF
Molecular Weight212.69 g/mol
Exact Mass212.08
IUPAC Name2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene
SMILESCc1ccc(F)c(C2CCCC2Cl)c1
InChIInChI=1S/C12H14ClF/c1-8-5-6-12(14)10(7-8)9-3-2-4-11(9)13/h5-7,9,11H,2-4H2,1H3
InChIKeyOIKLBJLPSHKMLC-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.69
LogP ≤ 54.01
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-chlorocyclopentyl)-1-fluoro-4-methylbenzene?
The IUPAC name of 2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene (CID 62801942) is 2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene?
The canonical SMILES for 2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene is Cc1ccc(F)c(C2CCCC2Cl)c1.
What is the InChIKey of 2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene?
The InChIKey is OIKLBJLPSHKMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF/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-chlorocyclopentyl)-1-fluoro-4-methylbenzene?
2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene has a molecular weight of 212.69 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorocyclopentyl)-1-fluoro-4-methylbenzene is sourced from PubChem (CID 62801942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).