1-(3-chlorocyclopentyl)-4-fluorobenzene

C11H12ClF — CID 64515664

IUPAC1-(3-chlorocyclopentyl)-4-fluorobenzene
SMILESFc1ccc(C2CCC(Cl)C2)cc1
InChIInChI=1S/C11H12ClF/c12-10-4-1-9(7-10)8-2-5-11(13)6-3-8/h2-3,5-6,9-10H,1,4,7H2
InChIKeyNRCUKDAKHMTNOK-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.70
Rot. Bonds1

About 1-(3-chlorocyclopentyl)-4-fluorobenzene

1-(3-chlorocyclopentyl)-4-fluorobenzene (PubChem CID 64515664) has the molecular formula C11H12ClF and a molecular weight of 198.67 g/mol. Its IUPAC name is 1-(3-chlorocyclopentyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(3-chlorocyclopentyl)-4-fluorobenzene
PubChem CID64515664
Molecular FormulaC11H12ClF
Molecular Weight198.67 g/mol
Exact Mass198.06
IUPAC Name1-(3-chlorocyclopentyl)-4-fluorobenzene
SMILESFc1ccc(C2CCC(Cl)C2)cc1
InChIInChI=1S/C11H12ClF/c12-10-4-1-9(7-10)8-2-5-11(13)6-3-8/h2-3,5-6,9-10H,1,4,7H2
InChIKeyNRCUKDAKHMTNOK-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.70
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 1-(3-chlorocyclopentyl)-4-fluorobenzene?
The IUPAC name of 1-(3-chlorocyclopentyl)-4-fluorobenzene (CID 64515664) is 1-(3-chlorocyclopentyl)-4-fluorobenzene.
What is the SMILES notation for 1-(3-chlorocyclopentyl)-4-fluorobenzene?
The canonical SMILES for 1-(3-chlorocyclopentyl)-4-fluorobenzene is Fc1ccc(C2CCC(Cl)C2)cc1.
What is the InChIKey of 1-(3-chlorocyclopentyl)-4-fluorobenzene?
The InChIKey is NRCUKDAKHMTNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF/c12-10-4-1-9(7-10)8-2-5-11(13)6-3-8/h2-3,5-6,9-10H,1,4,7H2.
What are the key properties of 1-(3-chlorocyclopentyl)-4-fluorobenzene?
1-(3-chlorocyclopentyl)-4-fluorobenzene has a molecular weight of 198.67 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclopentyl)-4-fluorobenzene is sourced from PubChem (CID 64515664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).