1-cyclopent-2-en-1-yl-4-fluorobenzene

C11H11F — CID 12699498

IUPAC1-cyclopent-2-en-1-yl-4-fluorobenzene
SMILESFc1ccc(C2C=CCC2)cc1
InChIInChI=1S/C11H11F/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h1,3,5-9H,2,4H2
InChIKeyFSRFOYNCOYUNMY-UHFFFAOYSA-N
MW162.21 g/mol
LogP3.26
Rot. Bonds1

About 1-cyclopent-2-en-1-yl-4-fluorobenzene

1-cyclopent-2-en-1-yl-4-fluorobenzene (PubChem CID 12699498) has the molecular formula C11H11F and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-4-fluorobenzene.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-4-fluorobenzene
PubChem CID12699498
Molecular FormulaC11H11F
Molecular Weight162.21 g/mol
Exact Mass162.08
IUPAC Name1-cyclopent-2-en-1-yl-4-fluorobenzene
SMILESFc1ccc(C2C=CCC2)cc1
InChIInChI=1S/C11H11F/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h1,3,5-9H,2,4H2
InChIKeyFSRFOYNCOYUNMY-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-4-fluorobenzene?
The IUPAC name of 1-cyclopent-2-en-1-yl-4-fluorobenzene (CID 12699498) is 1-cyclopent-2-en-1-yl-4-fluorobenzene.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-4-fluorobenzene?
The canonical SMILES for 1-cyclopent-2-en-1-yl-4-fluorobenzene is Fc1ccc(C2C=CCC2)cc1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-4-fluorobenzene?
The InChIKey is FSRFOYNCOYUNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h1,3,5-9H,2,4H2.
What are the key properties of 1-cyclopent-2-en-1-yl-4-fluorobenzene?
1-cyclopent-2-en-1-yl-4-fluorobenzene has a molecular weight of 162.21 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-4-fluorobenzene is sourced from PubChem (CID 12699498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).